data_51296 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51296 _Entry.Title ; 1H, 15N & 13C resonance assignment of the periplasmic domain of OutG, major pseudopilin from Dickeya dadantii type 2 secretion system ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-27 _Entry.Accession_date 2022-01-27 _Entry.Last_release_date 2022-01-27 _Entry.Original_release_date 2022-01-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Theis Jacobsen . . . . 51296 2 Regine Dazzoni . . . . 51296 3 Melvin Renault . . . . 51296 4 Benjamin Bardiaux . . . 0000-0003-4014-9195 51296 5 Michael Nilges . . . 0000-0002-1451-8092 51296 6 Vladimir Shevchik . E. . 0000-0002-8031-8638 51296 7 Nadia Izadi-Pruneyre . . . 0000-0002-6864-2961 51296 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut Pasteur' . 51296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 51296 '15N chemical shifts' 117 51296 '1H chemical shifts' 700 51296 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-28 2022-01-27 update BMRB 'update entry citation' 51296 1 . . 2022-05-02 2022-01-27 original author 'original release' 51296 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51296 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35482172 _Citation.DOI 10.1007/s12104-022-10085-4 _Citation.Full_citation . _Citation.Title ; Secondary structure and 1 H, 15 N & 13 C resonance assignments of the periplasmic domain of OutG, major pseudopilin from Dickeya dadantii type II secretion system ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 231 _Citation.Page_last 236 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Theis Jacobsen . . . . 51296 1 2 Regine Dazzoni . . . . 51296 1 3 Melvin Renault . . . . 51296 1 4 Benjamin Bardiaux . . . . 51296 1 5 Michael Nilges . . . . 51296 1 6 Vladimir Shevchik . E. . . 51296 1 7 Nadia Izadi-Pruneyre . . . . 51296 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR resonance assignment, Type II Secretion System, OutG, pseudopilin, Dickeya Dadantii' 51296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51296 _Assembly.ID 1 _Assembly.Name 'OutG monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13536 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 OutG 1 $entity_1 . . yes native yes no . . . 51296 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Secretion of bacterial exoproteins' 51296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51296 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMGMGNKEKADRQKAISDIV ALESALDMYKLDNSRYPTTE QGLGALVKKPTTPPEPRSYP QDGYIRRLPQDPWGAEYQLV SPGRHGKVDVFSYGPDGMPD TDDDIGNWNVGTSAHSNGSN GNGNP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first glycine is left over form the TEV cleavage site and a MG motif from the cloning.' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Major pseudopilin in the type II secretion system of Dickeya Dadantii' 51296 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 22 GLY . 51296 1 2 23 MET . 51296 1 3 24 GLY . 51296 1 4 25 MET . 51296 1 5 26 GLY . 51296 1 6 27 ASN . 51296 1 7 28 LYS . 51296 1 8 29 GLU . 51296 1 9 30 LYS . 51296 1 10 31 ALA . 51296 1 11 32 ASP . 51296 1 12 33 ARG . 51296 1 13 34 GLN . 51296 1 14 35 LYS . 51296 1 15 36 ALA . 51296 1 16 37 ILE . 51296 1 17 38 SER . 51296 1 18 39 ASP . 51296 1 19 40 ILE . 51296 1 20 41 VAL . 51296 1 21 42 ALA . 51296 1 22 43 LEU . 51296 1 23 44 GLU . 51296 1 24 45 SER . 51296 1 25 46 ALA . 51296 1 26 47 LEU . 51296 1 27 48 ASP . 51296 1 28 49 MET . 51296 1 29 50 TYR . 51296 1 30 51 LYS . 51296 1 31 52 LEU . 51296 1 32 53 ASP . 51296 1 33 54 ASN . 51296 1 34 55 SER . 51296 1 35 56 ARG . 51296 1 36 57 TYR . 51296 1 37 58 PRO . 51296 1 38 59 THR . 51296 1 39 60 THR . 51296 1 40 61 GLU . 51296 1 41 62 GLN . 51296 1 42 63 GLY . 51296 1 43 64 LEU . 51296 1 44 65 GLY . 51296 1 45 66 ALA . 51296 1 46 67 LEU . 51296 1 47 68 VAL . 51296 1 48 69 LYS . 51296 1 49 70 LYS . 51296 1 50 71 PRO . 51296 1 51 72 THR . 51296 1 52 73 THR . 51296 1 53 74 PRO . 51296 1 54 75 PRO . 51296 1 55 76 GLU . 51296 1 56 77 PRO . 51296 1 57 78 ARG . 51296 1 58 79 SER . 51296 1 59 80 TYR . 51296 1 60 81 PRO . 51296 1 61 82 GLN . 51296 1 62 83 ASP . 51296 1 63 84 GLY . 51296 1 64 85 TYR . 51296 1 65 86 ILE . 51296 1 66 87 ARG . 51296 1 67 88 ARG . 51296 1 68 89 LEU . 51296 1 69 90 PRO . 51296 1 70 91 GLN . 51296 1 71 92 ASP . 51296 1 72 93 PRO . 51296 1 73 94 TRP . 51296 1 74 95 GLY . 51296 1 75 96 ALA . 51296 1 76 97 GLU . 51296 1 77 98 TYR . 51296 1 78 99 GLN . 51296 1 79 100 LEU . 51296 1 80 101 VAL . 51296 1 81 102 SER . 51296 1 82 103 PRO . 51296 1 83 104 GLY . 51296 1 84 105 ARG . 51296 1 85 106 HIS . 51296 1 86 107 GLY . 51296 1 87 108 LYS . 51296 1 88 109 VAL . 51296 1 89 110 ASP . 51296 1 90 111 VAL . 51296 1 91 112 PHE . 51296 1 92 113 SER . 51296 1 93 114 TYR . 51296 1 94 115 GLY . 51296 1 95 116 PRO . 51296 1 96 117 ASP . 51296 1 97 118 GLY . 51296 1 98 119 MET . 51296 1 99 120 PRO . 51296 1 100 121 ASP . 51296 1 101 122 THR . 51296 1 102 123 ASP . 51296 1 103 124 ASP . 51296 1 104 125 ASP . 51296 1 105 126 ILE . 51296 1 106 127 GLY . 51296 1 107 128 ASN . 51296 1 108 129 TRP . 51296 1 109 130 ASN . 51296 1 110 131 VAL . 51296 1 111 132 GLY . 51296 1 112 133 THR . 51296 1 113 134 SER . 51296 1 114 135 ALA . 51296 1 115 136 HIS . 51296 1 116 137 SER . 51296 1 117 138 ASN . 51296 1 118 139 GLY . 51296 1 119 140 SER . 51296 1 120 141 ASN . 51296 1 121 142 GLY . 51296 1 122 143 ASN . 51296 1 123 144 GLY . 51296 1 124 145 ASN . 51296 1 125 146 PRO . 51296 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51296 1 . MET 2 2 51296 1 . GLY 3 3 51296 1 . MET 4 4 51296 1 . GLY 5 5 51296 1 . ASN 6 6 51296 1 . LYS 7 7 51296 1 . GLU 8 8 51296 1 . LYS 9 9 51296 1 . ALA 10 10 51296 1 . ASP 11 11 51296 1 . ARG 12 12 51296 1 . GLN 13 13 51296 1 . LYS 14 14 51296 1 . ALA 15 15 51296 1 . ILE 16 16 51296 1 . SER 17 17 51296 1 . ASP 18 18 51296 1 . ILE 19 19 51296 1 . VAL 20 20 51296 1 . ALA 21 21 51296 1 . LEU 22 22 51296 1 . GLU 23 23 51296 1 . SER 24 24 51296 1 . ALA 25 25 51296 1 . LEU 26 26 51296 1 . ASP 27 27 51296 1 . MET 28 28 51296 1 . TYR 29 29 51296 1 . LYS 30 30 51296 1 . LEU 31 31 51296 1 . ASP 32 32 51296 1 . ASN 33 33 51296 1 . SER 34 34 51296 1 . ARG 35 35 51296 1 . TYR 36 36 51296 1 . PRO 37 37 51296 1 . THR 38 38 51296 1 . THR 39 39 51296 1 . GLU 40 40 51296 1 . GLN 41 41 51296 1 . GLY 42 42 51296 1 . LEU 43 43 51296 1 . GLY 44 44 51296 1 . ALA 45 45 51296 1 . LEU 46 46 51296 1 . VAL 47 47 51296 1 . LYS 48 48 51296 1 . LYS 49 49 51296 1 . PRO 50 50 51296 1 . THR 51 51 51296 1 . THR 52 52 51296 1 . PRO 53 53 51296 1 . PRO 54 54 51296 1 . GLU 55 55 51296 1 . PRO 56 56 51296 1 . ARG 57 57 51296 1 . SER 58 58 51296 1 . TYR 59 59 51296 1 . PRO 60 60 51296 1 . GLN 61 61 51296 1 . ASP 62 62 51296 1 . GLY 63 63 51296 1 . TYR 64 64 51296 1 . ILE 65 65 51296 1 . ARG 66 66 51296 1 . ARG 67 67 51296 1 . LEU 68 68 51296 1 . PRO 69 69 51296 1 . GLN 70 70 51296 1 . ASP 71 71 51296 1 . PRO 72 72 51296 1 . TRP 73 73 51296 1 . GLY 74 74 51296 1 . ALA 75 75 51296 1 . GLU 76 76 51296 1 . TYR 77 77 51296 1 . GLN 78 78 51296 1 . LEU 79 79 51296 1 . VAL 80 80 51296 1 . SER 81 81 51296 1 . PRO 82 82 51296 1 . GLY 83 83 51296 1 . ARG 84 84 51296 1 . HIS 85 85 51296 1 . GLY 86 86 51296 1 . LYS 87 87 51296 1 . VAL 88 88 51296 1 . ASP 89 89 51296 1 . VAL 90 90 51296 1 . PHE 91 91 51296 1 . SER 92 92 51296 1 . TYR 93 93 51296 1 . GLY 94 94 51296 1 . PRO 95 95 51296 1 . ASP 96 96 51296 1 . GLY 97 97 51296 1 . MET 98 98 51296 1 . PRO 99 99 51296 1 . ASP 100 100 51296 1 . THR 101 101 51296 1 . ASP 102 102 51296 1 . ASP 103 103 51296 1 . ASP 104 104 51296 1 . ILE 105 105 51296 1 . GLY 106 106 51296 1 . ASN 107 107 51296 1 . TRP 108 108 51296 1 . ASN 109 109 51296 1 . VAL 110 110 51296 1 . GLY 111 111 51296 1 . THR 112 112 51296 1 . SER 113 113 51296 1 . ALA 114 114 51296 1 . HIS 115 115 51296 1 . SER 116 116 51296 1 . ASN 117 117 51296 1 . GLY 118 118 51296 1 . SER 119 119 51296 1 . ASN 120 120 51296 1 . GLY 121 121 51296 1 . ASN 122 122 51296 1 . GLY 123 123 51296 1 . ASN 124 124 51296 1 . PRO 125 125 51296 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51296 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 204038 organism . 'Dickeya Dadantii' 'Dickeya Dadantii' . . Bacteria . Dickeya Dadantii . . . . . . . . . . . . . 51296 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51296 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . plasmid . . pET20b(+) . . . 51296 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51296 _Sample.ID 1 _Sample.Name OutG _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM HEPES pH 6, 100 mM NaCl, 5 mM CaCl2' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OutG '[U-13C; U-15N]' . . 1 $entity_1 . . 0.43 . . mM . . . . 51296 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 51296 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51296 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 51296 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51296 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'OutG NMR buffer' _Sample_condition_list.Details '50 mM HEPES pH 6, 100 mM NaCl, 5 mM CaCl2' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51296 1 pH 6 . pH 51296 1 pressure 1 . atm 51296 1 temperature 298 . K 51296 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51296 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51296 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Bruker' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51296 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '800 MHz Bruker' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51296 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 2 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 3 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 4 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 5 '3D HN(CO)CA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 6 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 7 '3D HN(CO)CACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 8 '3D C(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 9 '3D H(CCO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 10 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 11 '3D HCCH-TOCSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 12 '3D 1H-15N NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51296 1 13 '3D 1H-13C NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51296 1 14 '2D HBCBCGCDHD' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51296 1 15 '2D HBCBCGCDCEHE' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51296 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51296 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.25 . . . . . 51296 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 51296 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.1 . . . . . 51296 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51296 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'OutG shift list' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51296 1 2 '3D HNCO' . . . 51296 1 3 '3D HN(CA)CO' . . . 51296 1 4 '3D HNCA' . . . 51296 1 5 '3D HN(CO)CA' . . . 51296 1 6 '3D HNCACB' . . . 51296 1 7 '3D HN(CO)CACB' . . . 51296 1 8 '3D C(CO)NH' . . . 51296 1 9 '3D H(CCO)NH' . . . 51296 1 10 '2D 1H-13C HSQC' . . . 51296 1 11 '3D HCCH-TOCSY' . . . 51296 1 12 '3D 1H-15N NOESY' . . . 51296 1 13 '3D 1H-13C NOESY' . . . 51296 1 14 '2D HBCBCGCDHD' . . . 51296 1 15 '2D HBCBCGCDCEHE' . . . 51296 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51296 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY HA2 H 1 3.994 0.000 . 1 . . . . . 24 GLY HA2 . 51296 1 2 . 1 . 1 3 3 GLY HA3 H 1 3.994 0.000 . 1 . . . . . 24 GLY HA3 . 51296 1 3 . 1 . 1 3 3 GLY C C 13 174.142 0.024 . 1 . . . . . 24 GLY C . 51296 1 4 . 1 . 1 3 3 GLY CA C 13 45.383 0.011 . 1 . . . . . 24 GLY CA . 51296 1 5 . 1 . 1 4 4 MET H H 1 8.373 0.004 . 1 . . . . . 25 MET H . 51296 1 6 . 1 . 1 4 4 MET HA H 1 4.532 0.000 . 1 . . . . . 25 MET HA . 51296 1 7 . 1 . 1 4 4 MET HB2 H 1 2.092 0.000 . 1 . . . . . 25 MET HB2 . 51296 1 8 . 1 . 1 4 4 MET HB3 H 1 2.092 0.000 . 1 . . . . . 25 MET HB3 . 51296 1 9 . 1 . 1 4 4 MET HG2 H 1 2.618 0.000 . 1 . . . . . 25 MET HG2 . 51296 1 10 . 1 . 1 4 4 MET HG3 H 1 2.618 0.000 . 1 . . . . . 25 MET HG3 . 51296 1 11 . 1 . 1 4 4 MET C C 13 176.849 0.060 . 1 . . . . . 25 MET C . 51296 1 12 . 1 . 1 4 4 MET CA C 13 55.731 0.057 . 1 . . . . . 25 MET CA . 51296 1 13 . 1 . 1 4 4 MET CB C 13 33.299 0.061 . 1 . . . . . 25 MET CB . 51296 1 14 . 1 . 1 4 4 MET CG C 13 32.110 0.000 . 1 . . . . . 25 MET CG . 51296 1 15 . 1 . 1 4 4 MET N N 15 120.233 0.045 . 1 . . . . . 25 MET N . 51296 1 16 . 1 . 1 5 5 GLY H H 1 8.614 0.004 . 1 . . . . . 26 GLY H . 51296 1 17 . 1 . 1 5 5 GLY C C 13 174.252 0.062 . 1 . . . . . 26 GLY C . 51296 1 18 . 1 . 1 5 5 GLY CA C 13 45.409 0.014 . 1 . . . . . 26 GLY CA . 51296 1 19 . 1 . 1 5 5 GLY N N 15 110.627 0.042 . 1 . . . . . 26 GLY N . 51296 1 20 . 1 . 1 6 6 ASN H H 1 8.431 0.007 . 1 . . . . . 27 ASN H . 51296 1 21 . 1 . 1 6 6 ASN HA H 1 4.571 0.000 . 1 . . . . . 27 ASN HA . 51296 1 22 . 1 . 1 6 6 ASN HB2 H 1 2.868 0.000 . 1 . . . . . 27 ASN HB2 . 51296 1 23 . 1 . 1 6 6 ASN HB3 H 1 2.868 0.000 . 1 . . . . . 27 ASN HB3 . 51296 1 24 . 1 . 1 6 6 ASN HD21 H 1 7.050 0.004 . 1 . . . . . 27 ASN HD21 . 51296 1 25 . 1 . 1 6 6 ASN HD22 H 1 7.698 0.004 . 1 . . . . . 27 ASN HD22 . 51296 1 26 . 1 . 1 6 6 ASN C C 13 176.992 0.003 . 1 . . . . . 27 ASN C . 51296 1 27 . 1 . 1 6 6 ASN CA C 13 55.137 0.010 . 1 . . . . . 27 ASN CA . 51296 1 28 . 1 . 1 6 6 ASN CB C 13 38.554 0.019 . 1 . . . . . 27 ASN CB . 51296 1 29 . 1 . 1 6 6 ASN N N 15 119.086 0.026 . 1 . . . . . 27 ASN N . 51296 1 30 . 1 . 1 6 6 ASN ND2 N 15 112.894 0.033 . 1 . . . . . 27 ASN ND2 . 51296 1 31 . 1 . 1 7 7 LYS H H 1 8.556 0.005 . 1 . . . . . 28 LYS H . 51296 1 32 . 1 . 1 7 7 LYS HA H 1 4.096 0.000 . 1 . . . . . 28 LYS HA . 51296 1 33 . 1 . 1 7 7 LYS HB2 H 1 1.887 0.000 . 1 . . . . . 28 LYS HB2 . 51296 1 34 . 1 . 1 7 7 LYS HB3 H 1 1.887 0.000 . 1 . . . . . 28 LYS HB3 . 51296 1 35 . 1 . 1 7 7 LYS HG2 H 1 1.477 0.000 . 1 . . . . . 28 LYS HG2 . 51296 1 36 . 1 . 1 7 7 LYS HG3 H 1 1.477 0.000 . 1 . . . . . 28 LYS HG3 . 51296 1 37 . 1 . 1 7 7 LYS HD2 H 1 1.726 0.000 . 1 . . . . . 28 LYS HD2 . 51296 1 38 . 1 . 1 7 7 LYS HD3 H 1 1.726 0.000 . 1 . . . . . 28 LYS HD3 . 51296 1 39 . 1 . 1 7 7 LYS HE2 H 1 3.038 0.000 . 1 . . . . . 28 LYS HE2 . 51296 1 40 . 1 . 1 7 7 LYS HE3 H 1 3.038 0.000 . 1 . . . . . 28 LYS HE3 . 51296 1 41 . 1 . 1 7 7 LYS C C 13 177.347 0.015 . 1 . . . . . 28 LYS C . 51296 1 42 . 1 . 1 7 7 LYS CA C 13 59.103 0.001 . 1 . . . . . 28 LYS CA . 51296 1 43 . 1 . 1 7 7 LYS CB C 13 32.523 0.042 . 1 . . . . . 28 LYS CB . 51296 1 44 . 1 . 1 7 7 LYS CG C 13 24.967 0.000 . 1 . . . . . 28 LYS CG . 51296 1 45 . 1 . 1 7 7 LYS CD C 13 29.012 0.000 . 1 . . . . . 28 LYS CD . 51296 1 46 . 1 . 1 7 7 LYS CE C 13 42.413 0.000 . 1 . . . . . 28 LYS CE . 51296 1 47 . 1 . 1 7 7 LYS N N 15 123.691 0.045 . 1 . . . . . 28 LYS N . 51296 1 48 . 1 . 1 8 8 GLU H H 1 8.437 0.005 . 1 . . . . . 29 GLU H . 51296 1 49 . 1 . 1 8 8 GLU HA H 1 4.270 0.000 . 1 . . . . . 29 GLU HA . 51296 1 50 . 1 . 1 8 8 GLU HB2 H 1 2.160 0.000 . 1 . . . . . 29 GLU HB2 . 51296 1 51 . 1 . 1 8 8 GLU HB3 H 1 2.160 0.000 . 1 . . . . . 29 GLU HB3 . 51296 1 52 . 1 . 1 8 8 GLU HG2 H 1 2.481 0.000 . 1 . . . . . 29 GLU HG2 . 51296 1 53 . 1 . 1 8 8 GLU HG3 H 1 2.481 0.000 . 1 . . . . . 29 GLU HG3 . 51296 1 54 . 1 . 1 8 8 GLU C C 13 179.908 0.021 . 1 . . . . . 29 GLU C . 51296 1 55 . 1 . 1 8 8 GLU CA C 13 59.961 0.005 . 1 . . . . . 29 GLU CA . 51296 1 56 . 1 . 1 8 8 GLU CB C 13 29.205 0.014 . 1 . . . . . 29 GLU CB . 51296 1 57 . 1 . 1 8 8 GLU CG C 13 37.149 0.000 . 1 . . . . . 29 GLU CG . 51296 1 58 . 1 . 1 8 8 GLU N N 15 119.101 0.044 . 1 . . . . . 29 GLU N . 51296 1 59 . 1 . 1 9 9 LYS H H 1 8.124 0.004 . 1 . . . . . 30 LYS H . 51296 1 60 . 1 . 1 9 9 LYS HA H 1 4.116 0.000 . 1 . . . . . 30 LYS HA . 51296 1 61 . 1 . 1 9 9 LYS HB2 H 1 1.905 0.000 . 1 . . . . . 30 LYS HB2 . 51296 1 62 . 1 . 1 9 9 LYS HB3 H 1 1.905 0.000 . 1 . . . . . 30 LYS HB3 . 51296 1 63 . 1 . 1 9 9 LYS HG2 H 1 1.464 0.000 . 1 . . . . . 30 LYS HG2 . 51296 1 64 . 1 . 1 9 9 LYS HG3 H 1 1.464 0.000 . 1 . . . . . 30 LYS HG3 . 51296 1 65 . 1 . 1 9 9 LYS HD2 H 1 1.636 0.000 . 1 . . . . . 30 LYS HD2 . 51296 1 66 . 1 . 1 9 9 LYS HD3 H 1 1.636 0.000 . 1 . . . . . 30 LYS HD3 . 51296 1 67 . 1 . 1 9 9 LYS HE2 H 1 3.007 0.000 . 1 . . . . . 30 LYS HE2 . 51296 1 68 . 1 . 1 9 9 LYS HE3 H 1 3.007 0.000 . 1 . . . . . 30 LYS HE3 . 51296 1 69 . 1 . 1 9 9 LYS C C 13 178.606 0.013 . 1 . . . . . 30 LYS C . 51296 1 70 . 1 . 1 9 9 LYS CA C 13 59.443 0.035 . 1 . . . . . 30 LYS CA . 51296 1 71 . 1 . 1 9 9 LYS CB C 13 32.732 0.012 . 1 . . . . . 30 LYS CB . 51296 1 72 . 1 . 1 9 9 LYS CG C 13 25.525 0.000 . 1 . . . . . 30 LYS CG . 51296 1 73 . 1 . 1 9 9 LYS CD C 13 29.660 0.000 . 1 . . . . . 30 LYS CD . 51296 1 74 . 1 . 1 9 9 LYS CE C 13 42.161 0.000 . 1 . . . . . 30 LYS CE . 51296 1 75 . 1 . 1 9 9 LYS N N 15 120.019 0.032 . 1 . . . . . 30 LYS N . 51296 1 76 . 1 . 1 10 10 ALA H H 1 8.056 0.005 . 1 . . . . . 31 ALA H . 51296 1 77 . 1 . 1 10 10 ALA HA H 1 4.164 0.000 . 1 . . . . . 31 ALA HA . 51296 1 78 . 1 . 1 10 10 ALA HB1 H 1 1.509 0.000 . 1 . . . . . 31 ALA HB1 . 51296 1 79 . 1 . 1 10 10 ALA HB2 H 1 1.509 0.000 . 1 . . . . . 31 ALA HB2 . 51296 1 80 . 1 . 1 10 10 ALA HB3 H 1 1.509 0.000 . 1 . . . . . 31 ALA HB3 . 51296 1 81 . 1 . 1 10 10 ALA C C 13 180.859 0.019 . 1 . . . . . 31 ALA C . 51296 1 82 . 1 . 1 10 10 ALA CA C 13 55.017 0.009 . 1 . . . . . 31 ALA CA . 51296 1 83 . 1 . 1 10 10 ALA CB C 13 18.155 0.022 . 1 . . . . . 31 ALA CB . 51296 1 84 . 1 . 1 10 10 ALA N N 15 123.513 0.043 . 1 . . . . . 31 ALA N . 51296 1 85 . 1 . 1 11 11 ASP H H 1 8.774 0.004 . 1 . . . . . 32 ASP H . 51296 1 86 . 1 . 1 11 11 ASP HA H 1 4.255 0.000 . 1 . . . . . 32 ASP HA . 51296 1 87 . 1 . 1 11 11 ASP HB2 H 1 2.264 0.000 . 2 . . . . . 32 ASP HB2 . 51296 1 88 . 1 . 1 11 11 ASP HB3 H 1 2.875 0.000 . 2 . . . . . 32 ASP HB3 . 51296 1 89 . 1 . 1 11 11 ASP C C 13 177.777 0.002 . 1 . . . . . 32 ASP C . 51296 1 90 . 1 . 1 11 11 ASP CA C 13 57.193 0.002 . 1 . . . . . 32 ASP CA . 51296 1 91 . 1 . 1 11 11 ASP CB C 13 40.156 0.016 . 1 . . . . . 32 ASP CB . 51296 1 92 . 1 . 1 11 11 ASP N N 15 120.922 0.035 . 1 . . . . . 32 ASP N . 51296 1 93 . 1 . 1 12 12 ARG H H 1 7.989 0.005 . 1 . . . . . 33 ARG H . 51296 1 94 . 1 . 1 12 12 ARG HA H 1 4.102 0.000 . 1 . . . . . 33 ARG HA . 51296 1 95 . 1 . 1 12 12 ARG HB2 H 1 2.062 0.000 . 1 . . . . . 33 ARG HB2 . 51296 1 96 . 1 . 1 12 12 ARG HB3 H 1 2.062 0.000 . 1 . . . . . 33 ARG HB3 . 51296 1 97 . 1 . 1 12 12 ARG HG2 H 1 1.739 0.000 . 1 . . . . . 33 ARG HG2 . 51296 1 98 . 1 . 1 12 12 ARG HG3 H 1 1.739 0.000 . 1 . . . . . 33 ARG HG3 . 51296 1 99 . 1 . 1 12 12 ARG HD2 H 1 3.302 0.000 . 1 . . . . . 33 ARG HD2 . 51296 1 100 . 1 . 1 12 12 ARG HD3 H 1 3.302 0.000 . 1 . . . . . 33 ARG HD3 . 51296 1 101 . 1 . 1 12 12 ARG C C 13 177.783 0.004 . 1 . . . . . 33 ARG C . 51296 1 102 . 1 . 1 12 12 ARG CA C 13 60.627 0.008 . 1 . . . . . 33 ARG CA . 51296 1 103 . 1 . 1 12 12 ARG CB C 13 29.733 0.040 . 1 . . . . . 33 ARG CB . 51296 1 104 . 1 . 1 12 12 ARG CG C 13 28.780 0.000 . 1 . . . . . 33 ARG CG . 51296 1 105 . 1 . 1 12 12 ARG CD C 13 43.429 0.000 . 1 . . . . . 33 ARG CD . 51296 1 106 . 1 . 1 12 12 ARG N N 15 119.983 0.031 . 1 . . . . . 33 ARG N . 51296 1 107 . 1 . 1 13 13 GLN H H 1 8.068 0.005 . 1 . . . . . 34 GLN H . 51296 1 108 . 1 . 1 13 13 GLN HA H 1 4.011 0.000 . 1 . . . . . 34 GLN HA . 51296 1 109 . 1 . 1 13 13 GLN HB2 H 1 2.189 0.000 . 1 . . . . . 34 GLN HB2 . 51296 1 110 . 1 . 1 13 13 GLN HB3 H 1 2.189 0.000 . 1 . . . . . 34 GLN HB3 . 51296 1 111 . 1 . 1 13 13 GLN HG2 H 1 2.502 0.000 . 1 . . . . . 34 GLN HG2 . 51296 1 112 . 1 . 1 13 13 GLN HG3 H 1 2.502 0.000 . 1 . . . . . 34 GLN HG3 . 51296 1 113 . 1 . 1 13 13 GLN HE21 H 1 6.906 0.004 . 1 . . . . . 34 GLN HE21 . 51296 1 114 . 1 . 1 13 13 GLN HE22 H 1 7.493 0.004 . 1 . . . . . 34 GLN HE22 . 51296 1 115 . 1 . 1 13 13 GLN C C 13 178.677 0.012 . 1 . . . . . 34 GLN C . 51296 1 116 . 1 . 1 13 13 GLN CA C 13 58.748 0.001 . 1 . . . . . 34 GLN CA . 51296 1 117 . 1 . 1 13 13 GLN CB C 13 28.260 0.015 . 1 . . . . . 34 GLN CB . 51296 1 118 . 1 . 1 13 13 GLN CG C 13 34.178 0.015 . 1 . . . . . 34 GLN CG . 51296 1 119 . 1 . 1 13 13 GLN N N 15 116.060 0.059 . 1 . . . . . 34 GLN N . 51296 1 120 . 1 . 1 13 13 GLN NE2 N 15 112.186 0.042 . 1 . . . . . 34 GLN NE2 . 51296 1 121 . 1 . 1 14 14 LYS H H 1 8.044 0.004 . 1 . . . . . 35 LYS H . 51296 1 122 . 1 . 1 14 14 LYS HA H 1 4.078 0.000 . 1 . . . . . 35 LYS HA . 51296 1 123 . 1 . 1 14 14 LYS HB2 H 1 1.940 0.000 . 1 . . . . . 35 LYS HB2 . 51296 1 124 . 1 . 1 14 14 LYS HB3 H 1 1.940 0.000 . 1 . . . . . 35 LYS HB3 . 51296 1 125 . 1 . 1 14 14 LYS HG2 H 1 1.280 0.000 . 1 . . . . . 35 LYS HG2 . 51296 1 126 . 1 . 1 14 14 LYS HG3 H 1 1.280 0.000 . 1 . . . . . 35 LYS HG3 . 51296 1 127 . 1 . 1 14 14 LYS HD2 H 1 1.516 0.000 . 1 . . . . . 35 LYS HD2 . 51296 1 128 . 1 . 1 14 14 LYS HD3 H 1 1.516 0.000 . 1 . . . . . 35 LYS HD3 . 51296 1 129 . 1 . 1 14 14 LYS C C 13 177.507 0.020 . 1 . . . . . 35 LYS C . 51296 1 130 . 1 . 1 14 14 LYS CA C 13 59.113 0.033 . 1 . . . . . 35 LYS CA . 51296 1 131 . 1 . 1 14 14 LYS CB C 13 31.888 0.031 . 1 . . . . . 35 LYS CB . 51296 1 132 . 1 . 1 14 14 LYS CG C 13 25.429 0.000 . 1 . . . . . 35 LYS CG . 51296 1 133 . 1 . 1 14 14 LYS CD C 13 28.657 0.000 . 1 . . . . . 35 LYS CD . 51296 1 134 . 1 . 1 14 14 LYS CE C 13 42.891 0.000 . 1 . . . . . 35 LYS CE . 51296 1 135 . 1 . 1 14 14 LYS N N 15 122.311 0.023 . 1 . . . . . 35 LYS N . 51296 1 136 . 1 . 1 15 15 ALA H H 1 7.962 0.005 . 1 . . . . . 36 ALA H . 51296 1 137 . 1 . 1 15 15 ALA HA H 1 4.984 0.000 . 1 . . . . . 36 ALA HA . 51296 1 138 . 1 . 1 15 15 ALA HB1 H 1 1.675 0.000 . 1 . . . . . 36 ALA HB1 . 51296 1 139 . 1 . 1 15 15 ALA HB2 H 1 1.675 0.000 . 1 . . . . . 36 ALA HB2 . 51296 1 140 . 1 . 1 15 15 ALA HB3 H 1 1.675 0.000 . 1 . . . . . 36 ALA HB3 . 51296 1 141 . 1 . 1 15 15 ALA C C 13 179.620 0.010 . 1 . . . . . 36 ALA C . 51296 1 142 . 1 . 1 15 15 ALA CA C 13 54.212 0.044 . 1 . . . . . 36 ALA CA . 51296 1 143 . 1 . 1 15 15 ALA CB C 13 18.134 0.030 . 1 . . . . . 36 ALA CB . 51296 1 144 . 1 . 1 15 15 ALA N N 15 120.748 0.062 . 1 . . . . . 36 ALA N . 51296 1 145 . 1 . 1 16 16 ILE H H 1 8.340 0.005 . 1 . . . . . 37 ILE H . 51296 1 146 . 1 . 1 16 16 ILE HA H 1 3.421 0.000 . 1 . . . . . 37 ILE HA . 51296 1 147 . 1 . 1 16 16 ILE HB H 1 1.876 0.000 . 1 . . . . . 37 ILE HB . 51296 1 148 . 1 . 1 16 16 ILE HG21 H 1 0.880 0.000 . 1 . . . . . 37 ILE HG21 . 51296 1 149 . 1 . 1 16 16 ILE HG22 H 1 0.880 0.000 . 1 . . . . . 37 ILE HG22 . 51296 1 150 . 1 . 1 16 16 ILE HG23 H 1 0.880 0.000 . 1 . . . . . 37 ILE HG23 . 51296 1 151 . 1 . 1 16 16 ILE HD11 H 1 0.880 0.000 . 1 . . . . . 37 ILE HD11 . 51296 1 152 . 1 . 1 16 16 ILE HD12 H 1 0.880 0.000 . 1 . . . . . 37 ILE HD12 . 51296 1 153 . 1 . 1 16 16 ILE HD13 H 1 0.880 0.000 . 1 . . . . . 37 ILE HD13 . 51296 1 154 . 1 . 1 16 16 ILE C C 13 177.254 0.017 . 1 . . . . . 37 ILE C . 51296 1 155 . 1 . 1 16 16 ILE CA C 13 66.259 0.009 . 1 . . . . . 37 ILE CA . 51296 1 156 . 1 . 1 16 16 ILE CB C 13 38.081 0.023 . 1 . . . . . 37 ILE CB . 51296 1 157 . 1 . 1 16 16 ILE CG1 C 13 29.721 0.000 . 1 . . . . . 37 ILE CG1 . 51296 1 158 . 1 . 1 16 16 ILE CG2 C 13 16.840 0.000 . 1 . . . . . 37 ILE CG2 . 51296 1 159 . 1 . 1 16 16 ILE CD1 C 13 13.843 0.000 . 1 . . . . . 37 ILE CD1 . 51296 1 160 . 1 . 1 16 16 ILE N N 15 116.443 0.038 . 1 . . . . . 37 ILE N . 51296 1 161 . 1 . 1 17 17 SER H H 1 8.148 0.005 . 1 . . . . . 38 SER H . 51296 1 162 . 1 . 1 17 17 SER HA H 1 4.017 0.000 . 1 . . . . . 38 SER HA . 51296 1 163 . 1 . 1 17 17 SER HB2 H 1 4.017 0.000 . 1 . . . . . 38 SER HB2 . 51296 1 164 . 1 . 1 17 17 SER HB3 H 1 4.017 0.000 . 1 . . . . . 38 SER HB3 . 51296 1 165 . 1 . 1 17 17 SER C C 13 177.803 0.022 . 1 . . . . . 38 SER C . 51296 1 166 . 1 . 1 17 17 SER CA C 13 62.055 0.037 . 1 . . . . . 38 SER CA . 51296 1 167 . 1 . 1 17 17 SER CB C 13 62.862 0.012 . 1 . . . . . 38 SER CB . 51296 1 168 . 1 . 1 17 17 SER N N 15 114.205 0.045 . 1 . . . . . 38 SER N . 51296 1 169 . 1 . 1 18 18 ASP H H 1 8.547 0.004 . 1 . . . . . 39 ASP H . 51296 1 170 . 1 . 1 18 18 ASP HA H 1 4.275 0.000 . 1 . . . . . 39 ASP HA . 51296 1 171 . 1 . 1 18 18 ASP HB2 H 1 3.082 0.000 . 2 . . . . . 39 ASP HB2 . 51296 1 172 . 1 . 1 18 18 ASP HB3 H 1 1.757 0.000 . 2 . . . . . 39 ASP HB3 . 51296 1 173 . 1 . 1 18 18 ASP C C 13 177.738 0.039 . 1 . . . . . 39 ASP C . 51296 1 174 . 1 . 1 18 18 ASP CA C 13 57.159 0.011 . 1 . . . . . 39 ASP CA . 51296 1 175 . 1 . 1 18 18 ASP CB C 13 38.540 0.043 . 1 . . . . . 39 ASP CB . 51296 1 176 . 1 . 1 18 18 ASP N N 15 123.974 0.037 . 1 . . . . . 39 ASP N . 51296 1 177 . 1 . 1 19 19 ILE H H 1 8.318 0.005 . 1 . . . . . 40 ILE H . 51296 1 178 . 1 . 1 19 19 ILE HA H 1 3.175 0.000 . 1 . . . . . 40 ILE HA . 51296 1 179 . 1 . 1 19 19 ILE HB H 1 1.912 0.000 . 1 . . . . . 40 ILE HB . 51296 1 180 . 1 . 1 19 19 ILE HG12 H 1 1.676 0.000 . 2 . . . . . 40 ILE HG12 . 51296 1 181 . 1 . 1 19 19 ILE HG13 H 1 1.484 0.000 . 2 . . . . . 40 ILE HG13 . 51296 1 182 . 1 . 1 19 19 ILE HG21 H 1 0.685 0.000 . 1 . . . . . 40 ILE HG21 . 51296 1 183 . 1 . 1 19 19 ILE HG22 H 1 0.685 0.000 . 1 . . . . . 40 ILE HG22 . 51296 1 184 . 1 . 1 19 19 ILE HG23 H 1 0.685 0.000 . 1 . . . . . 40 ILE HG23 . 51296 1 185 . 1 . 1 19 19 ILE HD11 H 1 0.685 0.000 . 1 . . . . . 40 ILE HD11 . 51296 1 186 . 1 . 1 19 19 ILE HD12 H 1 0.685 0.000 . 1 . . . . . 40 ILE HD12 . 51296 1 187 . 1 . 1 19 19 ILE HD13 H 1 0.685 0.000 . 1 . . . . . 40 ILE HD13 . 51296 1 188 . 1 . 1 19 19 ILE C C 13 177.688 0.003 . 1 . . . . . 40 ILE C . 51296 1 189 . 1 . 1 19 19 ILE CA C 13 65.829 0.007 . 1 . . . . . 40 ILE CA . 51296 1 190 . 1 . 1 19 19 ILE CB C 13 37.337 0.039 . 1 . . . . . 40 ILE CB . 51296 1 191 . 1 . 1 19 19 ILE CG1 C 13 30.763 0.000 . 1 . . . . . 40 ILE CG1 . 51296 1 192 . 1 . 1 19 19 ILE CG2 C 13 16.949 0.000 . 1 . . . . . 40 ILE CG2 . 51296 1 193 . 1 . 1 19 19 ILE CD1 C 13 13.805 0.000 . 1 . . . . . 40 ILE CD1 . 51296 1 194 . 1 . 1 19 19 ILE N N 15 121.448 0.029 . 1 . . . . . 40 ILE N . 51296 1 195 . 1 . 1 20 20 VAL H H 1 8.520 0.005 . 1 . . . . . 41 VAL H . 51296 1 196 . 1 . 1 20 20 VAL HA H 1 3.875 0.000 . 1 . . . . . 41 VAL HA . 51296 1 197 . 1 . 1 20 20 VAL HB H 1 2.142 0.000 . 1 . . . . . 41 VAL HB . 51296 1 198 . 1 . 1 20 20 VAL HG11 H 1 1.017 0.000 . 1 . . . . . 41 VAL HG11 . 51296 1 199 . 1 . 1 20 20 VAL HG12 H 1 1.017 0.000 . 1 . . . . . 41 VAL HG12 . 51296 1 200 . 1 . 1 20 20 VAL HG13 H 1 1.017 0.000 . 1 . . . . . 41 VAL HG13 . 51296 1 201 . 1 . 1 20 20 VAL HG21 H 1 1.017 0.000 . 1 . . . . . 41 VAL HG21 . 51296 1 202 . 1 . 1 20 20 VAL HG22 H 1 1.017 0.000 . 1 . . . . . 41 VAL HG22 . 51296 1 203 . 1 . 1 20 20 VAL HG23 H 1 1.017 0.000 . 1 . . . . . 41 VAL HG23 . 51296 1 204 . 1 . 1 20 20 VAL C C 13 179.453 0.004 . 1 . . . . . 41 VAL C . 51296 1 205 . 1 . 1 20 20 VAL CA C 13 66.539 0.026 . 1 . . . . . 41 VAL CA . 51296 1 206 . 1 . 1 20 20 VAL CB C 13 31.798 0.054 . 1 . . . . . 41 VAL CB . 51296 1 207 . 1 . 1 20 20 VAL CG1 C 13 22.753 0.000 . 2 . . . . . 41 VAL CG1 . 51296 1 208 . 1 . 1 20 20 VAL CG2 C 13 21.145 0.000 . 2 . . . . . 41 VAL CG2 . 51296 1 209 . 1 . 1 20 20 VAL N N 15 120.069 0.057 . 1 . . . . . 41 VAL N . 51296 1 210 . 1 . 1 21 21 ALA H H 1 7.808 0.006 . 1 . . . . . 42 ALA H . 51296 1 211 . 1 . 1 21 21 ALA HA H 1 4.225 0.000 . 1 . . . . . 42 ALA HA . 51296 1 212 . 1 . 1 21 21 ALA HB1 H 1 1.568 0.000 . 1 . . . . . 42 ALA HB1 . 51296 1 213 . 1 . 1 21 21 ALA HB2 H 1 1.568 0.000 . 1 . . . . . 42 ALA HB2 . 51296 1 214 . 1 . 1 21 21 ALA HB3 H 1 1.568 0.000 . 1 . . . . . 42 ALA HB3 . 51296 1 215 . 1 . 1 21 21 ALA C C 13 181.897 0.009 . 1 . . . . . 42 ALA C . 51296 1 216 . 1 . 1 21 21 ALA CA C 13 55.318 0.011 . 1 . . . . . 42 ALA CA . 51296 1 217 . 1 . 1 21 21 ALA CB C 13 17.901 0.011 . 1 . . . . . 42 ALA CB . 51296 1 218 . 1 . 1 21 21 ALA N N 15 123.822 0.039 . 1 . . . . . 42 ALA N . 51296 1 219 . 1 . 1 22 22 LEU H H 1 8.650 0.005 . 1 . . . . . 43 LEU H . 51296 1 220 . 1 . 1 22 22 LEU HA H 1 3.931 0.000 . 1 . . . . . 43 LEU HA . 51296 1 221 . 1 . 1 22 22 LEU HB2 H 1 1.985 0.000 . 1 . . . . . 43 LEU HB2 . 51296 1 222 . 1 . 1 22 22 LEU HB3 H 1 1.985 0.000 . 1 . . . . . 43 LEU HB3 . 51296 1 223 . 1 . 1 22 22 LEU HG H 1 1.715 0.000 . 1 . . . . . 43 LEU HG . 51296 1 224 . 1 . 1 22 22 LEU HD11 H 1 0.965 0.000 . 2 . . . . . 43 LEU HD11 . 51296 1 225 . 1 . 1 22 22 LEU HD12 H 1 0.965 0.000 . 2 . . . . . 43 LEU HD12 . 51296 1 226 . 1 . 1 22 22 LEU HD13 H 1 0.965 0.000 . 2 . . . . . 43 LEU HD13 . 51296 1 227 . 1 . 1 22 22 LEU HD21 H 1 0.261 0.000 . 2 . . . . . 43 LEU HD21 . 51296 1 228 . 1 . 1 22 22 LEU HD22 H 1 0.261 0.000 . 2 . . . . . 43 LEU HD22 . 51296 1 229 . 1 . 1 22 22 LEU HD23 H 1 0.261 0.000 . 2 . . . . . 43 LEU HD23 . 51296 1 230 . 1 . 1 22 22 LEU C C 13 178.920 0.021 . 1 . . . . . 43 LEU C . 51296 1 231 . 1 . 1 22 22 LEU CA C 13 58.044 0.010 . 1 . . . . . 43 LEU CA . 51296 1 232 . 1 . 1 22 22 LEU CB C 13 41.918 0.031 . 1 . . . . . 43 LEU CB . 51296 1 233 . 1 . 1 22 22 LEU CG C 13 26.584 0.000 . 1 . . . . . 43 LEU CG . 51296 1 234 . 1 . 1 22 22 LEU CD1 C 13 25.238 0.000 . 2 . . . . . 43 LEU CD1 . 51296 1 235 . 1 . 1 22 22 LEU CD2 C 13 23.261 0.000 . 2 . . . . . 43 LEU CD2 . 51296 1 236 . 1 . 1 22 22 LEU N N 15 121.331 0.034 . 1 . . . . . 43 LEU N . 51296 1 237 . 1 . 1 23 23 GLU H H 1 9.107 0.005 . 1 . . . . . 44 GLU H . 51296 1 238 . 1 . 1 23 23 GLU HA H 1 3.860 0.000 . 1 . . . . . 44 GLU HA . 51296 1 239 . 1 . 1 23 23 GLU HB2 H 1 2.181 0.000 . 1 . . . . . 44 GLU HB2 . 51296 1 240 . 1 . 1 23 23 GLU HB3 H 1 2.181 0.000 . 1 . . . . . 44 GLU HB3 . 51296 1 241 . 1 . 1 23 23 GLU HG2 H 1 2.371 0.000 . 1 . . . . . 44 GLU HG2 . 51296 1 242 . 1 . 1 23 23 GLU HG3 H 1 2.371 0.000 . 1 . . . . . 44 GLU HG3 . 51296 1 243 . 1 . 1 23 23 GLU C C 13 178.516 0.001 . 1 . . . . . 44 GLU C . 51296 1 244 . 1 . 1 23 23 GLU CA C 13 60.686 0.005 . 1 . . . . . 44 GLU CA . 51296 1 245 . 1 . 1 23 23 GLU CB C 13 30.243 0.010 . 1 . . . . . 44 GLU CB . 51296 1 246 . 1 . 1 23 23 GLU CG C 13 37.877 0.000 . 1 . . . . . 44 GLU CG . 51296 1 247 . 1 . 1 23 23 GLU N N 15 119.845 0.054 . 1 . . . . . 44 GLU N . 51296 1 248 . 1 . 1 24 24 SER H H 1 8.116 0.004 . 1 . . . . . 45 SER H . 51296 1 249 . 1 . 1 24 24 SER HA H 1 4.094 0.000 . 1 . . . . . 45 SER HA . 51296 1 250 . 1 . 1 24 24 SER HB2 H 1 4.094 0.000 . 1 . . . . . 45 SER HB2 . 51296 1 251 . 1 . 1 24 24 SER HB3 H 1 4.094 0.000 . 1 . . . . . 45 SER HB3 . 51296 1 252 . 1 . 1 24 24 SER C C 13 177.042 0.000 . 1 . . . . . 45 SER C . 51296 1 253 . 1 . 1 24 24 SER CA C 13 61.790 0.036 . 1 . . . . . 45 SER CA . 51296 1 254 . 1 . 1 24 24 SER CB C 13 62.791 0.017 . 1 . . . . . 45 SER CB . 51296 1 255 . 1 . 1 24 24 SER N N 15 114.260 0.030 . 1 . . . . . 45 SER N . 51296 1 256 . 1 . 1 25 25 ALA H H 1 7.723 0.005 . 1 . . . . . 46 ALA H . 51296 1 257 . 1 . 1 25 25 ALA HA H 1 4.365 0.000 . 1 . . . . . 46 ALA HA . 51296 1 258 . 1 . 1 25 25 ALA HB1 H 1 1.562 0.000 . 1 . . . . . 46 ALA HB1 . 51296 1 259 . 1 . 1 25 25 ALA HB2 H 1 1.562 0.000 . 1 . . . . . 46 ALA HB2 . 51296 1 260 . 1 . 1 25 25 ALA HB3 H 1 1.562 0.000 . 1 . . . . . 46 ALA HB3 . 51296 1 261 . 1 . 1 25 25 ALA C C 13 179.189 0.016 . 1 . . . . . 46 ALA C . 51296 1 262 . 1 . 1 25 25 ALA CA C 13 55.171 0.010 . 1 . . . . . 46 ALA CA . 51296 1 263 . 1 . 1 25 25 ALA CB C 13 19.262 0.013 . 1 . . . . . 46 ALA CB . 51296 1 264 . 1 . 1 25 25 ALA N N 15 124.283 0.035 . 1 . . . . . 46 ALA N . 51296 1 265 . 1 . 1 26 26 LEU H H 1 8.729 0.004 . 1 . . . . . 47 LEU H . 51296 1 266 . 1 . 1 26 26 LEU HA H 1 3.865 0.000 . 1 . . . . . 47 LEU HA . 51296 1 267 . 1 . 1 26 26 LEU HB2 H 1 1.861 0.000 . 2 . . . . . 47 LEU HB2 . 51296 1 268 . 1 . 1 26 26 LEU HB3 H 1 2.286 0.000 . 2 . . . . . 47 LEU HB3 . 51296 1 269 . 1 . 1 26 26 LEU HG H 1 1.423 0.000 . 1 . . . . . 47 LEU HG . 51296 1 270 . 1 . 1 26 26 LEU HD11 H 1 0.650 0.000 . 1 . . . . . 47 LEU HD11 . 51296 1 271 . 1 . 1 26 26 LEU HD12 H 1 0.650 0.000 . 1 . . . . . 47 LEU HD12 . 51296 1 272 . 1 . 1 26 26 LEU HD13 H 1 0.650 0.000 . 1 . . . . . 47 LEU HD13 . 51296 1 273 . 1 . 1 26 26 LEU HD21 H 1 0.650 0.000 . 1 . . . . . 47 LEU HD21 . 51296 1 274 . 1 . 1 26 26 LEU HD22 H 1 0.650 0.000 . 1 . . . . . 47 LEU HD22 . 51296 1 275 . 1 . 1 26 26 LEU HD23 H 1 0.650 0.000 . 1 . . . . . 47 LEU HD23 . 51296 1 276 . 1 . 1 26 26 LEU C C 13 178.665 0.022 . 1 . . . . . 47 LEU C . 51296 1 277 . 1 . 1 26 26 LEU CA C 13 58.308 0.004 . 1 . . . . . 47 LEU CA . 51296 1 278 . 1 . 1 26 26 LEU CB C 13 41.527 0.029 . 1 . . . . . 47 LEU CB . 51296 1 279 . 1 . 1 26 26 LEU CG C 13 26.957 0.000 . 1 . . . . . 47 LEU CG . 51296 1 280 . 1 . 1 26 26 LEU CD1 C 13 24.824 0.000 . 1 . . . . . 47 LEU CD1 . 51296 1 281 . 1 . 1 26 26 LEU CD2 C 13 24.824 0.000 . 1 . . . . . 47 LEU CD2 . 51296 1 282 . 1 . 1 26 26 LEU N N 15 119.899 0.050 . 1 . . . . . 47 LEU N . 51296 1 283 . 1 . 1 27 27 ASP H H 1 8.381 0.005 . 1 . . . . . 48 ASP H . 51296 1 284 . 1 . 1 27 27 ASP HA H 1 4.652 0.000 . 1 . . . . . 48 ASP HA . 51296 1 285 . 1 . 1 27 27 ASP HB2 H 1 2.949 0.000 . 2 . . . . . 48 ASP HB2 . 51296 1 286 . 1 . 1 27 27 ASP HB3 H 1 2.700 0.000 . 2 . . . . . 48 ASP HB3 . 51296 1 287 . 1 . 1 27 27 ASP C C 13 179.503 0.004 . 1 . . . . . 48 ASP C . 51296 1 288 . 1 . 1 27 27 ASP CA C 13 57.763 0.030 . 1 . . . . . 48 ASP CA . 51296 1 289 . 1 . 1 27 27 ASP CB C 13 39.994 0.033 . 1 . . . . . 48 ASP CB . 51296 1 290 . 1 . 1 27 27 ASP N N 15 119.290 0.062 . 1 . . . . . 48 ASP N . 51296 1 291 . 1 . 1 28 28 MET H H 1 7.834 0.005 . 1 . . . . . 49 MET H . 51296 1 292 . 1 . 1 28 28 MET HA H 1 4.281 0.000 . 1 . . . . . 49 MET HA . 51296 1 293 . 1 . 1 28 28 MET HB2 H 1 2.412 0.000 . 2 . . . . . 49 MET HB2 . 51296 1 294 . 1 . 1 28 28 MET HB3 H 1 2.269 0.000 . 2 . . . . . 49 MET HB3 . 51296 1 295 . 1 . 1 28 28 MET HG2 H 1 2.885 0.000 . 1 . . . . . 49 MET HG2 . 51296 1 296 . 1 . 1 28 28 MET HG3 H 1 2.885 0.000 . 1 . . . . . 49 MET HG3 . 51296 1 297 . 1 . 1 28 28 MET C C 13 177.417 0.013 . 1 . . . . . 49 MET C . 51296 1 298 . 1 . 1 28 28 MET CA C 13 58.523 0.047 . 1 . . . . . 49 MET CA . 51296 1 299 . 1 . 1 28 28 MET CB C 13 32.131 0.013 . 1 . . . . . 49 MET CB . 51296 1 300 . 1 . 1 28 28 MET CG C 13 32.622 0.000 . 1 . . . . . 49 MET CG . 51296 1 301 . 1 . 1 28 28 MET N N 15 122.366 0.051 . 1 . . . . . 49 MET N . 51296 1 302 . 1 . 1 29 29 TYR H H 1 7.853 0.004 . 1 . . . . . 50 TYR H . 51296 1 303 . 1 . 1 29 29 TYR HA H 1 3.699 0.000 . 1 . . . . . 50 TYR HA . 51296 1 304 . 1 . 1 29 29 TYR HB2 H 1 3.374 0.000 . 2 . . . . . 50 TYR HB2 . 51296 1 305 . 1 . 1 29 29 TYR HB3 H 1 1.956 0.000 . 2 . . . . . 50 TYR HB3 . 51296 1 306 . 1 . 1 29 29 TYR HD1 H 1 7.262 0.011 . 1 . . . . . 50 TYR HD1 . 51296 1 307 . 1 . 1 29 29 TYR HD2 H 1 7.262 0.011 . 1 . . . . . 50 TYR HD2 . 51296 1 308 . 1 . 1 29 29 TYR HE1 H 1 6.779 0.017 . 1 . . . . . 50 TYR HE1 . 51296 1 309 . 1 . 1 29 29 TYR HE2 H 1 6.779 0.017 . 1 . . . . . 50 TYR HE2 . 51296 1 310 . 1 . 1 29 29 TYR C C 13 179.369 0.006 . 1 . . . . . 50 TYR C . 51296 1 311 . 1 . 1 29 29 TYR CA C 13 60.602 0.003 . 1 . . . . . 50 TYR CA . 51296 1 312 . 1 . 1 29 29 TYR CB C 13 37.717 0.024 . 1 . . . . . 50 TYR CB . 51296 1 313 . 1 . 1 29 29 TYR CD1 C 13 134.365 0.000 . 1 . . . . . 50 TYR CD1 . 51296 1 314 . 1 . 1 29 29 TYR CD2 C 13 134.365 0.000 . 1 . . . . . 50 TYR CD2 . 51296 1 315 . 1 . 1 29 29 TYR CE1 C 13 117.209 0.000 . 1 . . . . . 50 TYR CE1 . 51296 1 316 . 1 . 1 29 29 TYR CE2 C 13 117.209 0.000 . 1 . . . . . 50 TYR CE2 . 51296 1 317 . 1 . 1 29 29 TYR N N 15 122.733 0.049 . 1 . . . . . 50 TYR N . 51296 1 318 . 1 . 1 30 30 LYS H H 1 8.448 0.005 . 1 . . . . . 51 LYS H . 51296 1 319 . 1 . 1 30 30 LYS HA H 1 3.904 0.000 . 1 . . . . . 51 LYS HA . 51296 1 320 . 1 . 1 30 30 LYS HB2 H 1 0.925 0.000 . 1 . . . . . 51 LYS HB2 . 51296 1 321 . 1 . 1 30 30 LYS HB3 H 1 0.925 0.000 . 1 . . . . . 51 LYS HB3 . 51296 1 322 . 1 . 1 30 30 LYS HG2 H 1 0.500 0.000 . 1 . . . . . 51 LYS HG2 . 51296 1 323 . 1 . 1 30 30 LYS HG3 H 1 0.500 0.000 . 1 . . . . . 51 LYS HG3 . 51296 1 324 . 1 . 1 30 30 LYS HD2 H 1 1.582 0.000 . 1 . . . . . 51 LYS HD2 . 51296 1 325 . 1 . 1 30 30 LYS HD3 H 1 1.582 0.000 . 1 . . . . . 51 LYS HD3 . 51296 1 326 . 1 . 1 30 30 LYS C C 13 178.860 0.011 . 1 . . . . . 51 LYS C . 51296 1 327 . 1 . 1 30 30 LYS CA C 13 58.764 0.001 . 1 . . . . . 51 LYS CA . 51296 1 328 . 1 . 1 30 30 LYS CB C 13 32.138 0.020 . 1 . . . . . 51 LYS CB . 51296 1 329 . 1 . 1 30 30 LYS CG C 13 24.584 0.000 . 1 . . . . . 51 LYS CG . 51296 1 330 . 1 . 1 30 30 LYS CD C 13 28.551 0.000 . 1 . . . . . 51 LYS CD . 51296 1 331 . 1 . 1 30 30 LYS CE C 13 42.339 0.000 . 1 . . . . . 51 LYS CE . 51296 1 332 . 1 . 1 30 30 LYS N N 15 121.267 0.042 . 1 . . . . . 51 LYS N . 51296 1 333 . 1 . 1 31 31 LEU H H 1 8.279 0.005 . 1 . . . . . 52 LEU H . 51296 1 334 . 1 . 1 31 31 LEU HA H 1 3.990 0.000 . 1 . . . . . 52 LEU HA . 51296 1 335 . 1 . 1 31 31 LEU HB2 H 1 1.822 0.000 . 1 . . . . . 52 LEU HB2 . 51296 1 336 . 1 . 1 31 31 LEU HB3 H 1 1.822 0.000 . 1 . . . . . 52 LEU HB3 . 51296 1 337 . 1 . 1 31 31 LEU HG H 1 1.725 0.000 . 1 . . . . . 52 LEU HG . 51296 1 338 . 1 . 1 31 31 LEU HD11 H 1 0.928 0.000 . 1 . . . . . 52 LEU HD11 . 51296 1 339 . 1 . 1 31 31 LEU HD12 H 1 0.928 0.000 . 1 . . . . . 52 LEU HD12 . 51296 1 340 . 1 . 1 31 31 LEU HD13 H 1 0.928 0.000 . 1 . . . . . 52 LEU HD13 . 51296 1 341 . 1 . 1 31 31 LEU HD21 H 1 0.928 0.000 . 1 . . . . . 52 LEU HD21 . 51296 1 342 . 1 . 1 31 31 LEU HD22 H 1 0.928 0.000 . 1 . . . . . 52 LEU HD22 . 51296 1 343 . 1 . 1 31 31 LEU HD23 H 1 0.928 0.000 . 1 . . . . . 52 LEU HD23 . 51296 1 344 . 1 . 1 31 31 LEU C C 13 179.674 0.015 . 1 . . . . . 52 LEU C . 51296 1 345 . 1 . 1 31 31 LEU CA C 13 58.301 0.029 . 1 . . . . . 52 LEU CA . 51296 1 346 . 1 . 1 31 31 LEU CB C 13 41.599 0.025 . 1 . . . . . 52 LEU CB . 51296 1 347 . 1 . 1 31 31 LEU CG C 13 26.989 0.000 . 1 . . . . . 52 LEU CG . 51296 1 348 . 1 . 1 31 31 LEU CD1 C 13 24.560 0.000 . 1 . . . . . 52 LEU CD1 . 51296 1 349 . 1 . 1 31 31 LEU CD2 C 13 24.560 0.000 . 1 . . . . . 52 LEU CD2 . 51296 1 350 . 1 . 1 31 31 LEU N N 15 123.852 0.033 . 1 . . . . . 52 LEU N . 51296 1 351 . 1 . 1 32 32 ASP H H 1 7.653 0.005 . 1 . . . . . 53 ASP H . 51296 1 352 . 1 . 1 32 32 ASP HA H 1 4.484 0.000 . 1 . . . . . 53 ASP HA . 51296 1 353 . 1 . 1 32 32 ASP HB2 H 1 2.741 0.000 . 2 . . . . . 53 ASP HB2 . 51296 1 354 . 1 . 1 32 32 ASP HB3 H 1 2.593 0.000 . 2 . . . . . 53 ASP HB3 . 51296 1 355 . 1 . 1 32 32 ASP C C 13 178.342 0.013 . 1 . . . . . 53 ASP C . 51296 1 356 . 1 . 1 32 32 ASP CA C 13 56.887 0.013 . 1 . . . . . 53 ASP CA . 51296 1 357 . 1 . 1 32 32 ASP CB C 13 41.108 0.064 . 1 . . . . . 53 ASP CB . 51296 1 358 . 1 . 1 32 32 ASP N N 15 116.497 0.047 . 1 . . . . . 53 ASP N . 51296 1 359 . 1 . 1 33 33 ASN H H 1 8.313 0.006 . 1 . . . . . 54 ASN H . 51296 1 360 . 1 . 1 33 33 ASN HA H 1 4.968 0.000 . 1 . . . . . 54 ASN HA . 51296 1 361 . 1 . 1 33 33 ASN HB2 H 1 2.621 0.000 . 1 . . . . . 54 ASN HB2 . 51296 1 362 . 1 . 1 33 33 ASN HB3 H 1 2.621 0.000 . 1 . . . . . 54 ASN HB3 . 51296 1 363 . 1 . 1 33 33 ASN C C 13 176.016 0.016 . 1 . . . . . 54 ASN C . 51296 1 364 . 1 . 1 33 33 ASN CA C 13 55.476 0.024 . 1 . . . . . 54 ASN CA . 51296 1 365 . 1 . 1 33 33 ASN CB C 13 40.932 0.025 . 1 . . . . . 54 ASN CB . 51296 1 366 . 1 . 1 33 33 ASN N N 15 113.229 0.058 . 1 . . . . . 54 ASN N . 51296 1 367 . 1 . 1 34 34 SER H H 1 8.823 0.004 . 1 . . . . . 55 SER H . 51296 1 368 . 1 . 1 34 34 SER HA H 1 4.293 0.000 . 1 . . . . . 55 SER HA . 51296 1 369 . 1 . 1 34 34 SER HB2 H 1 4.085 0.000 . 1 . . . . . 55 SER HB2 . 51296 1 370 . 1 . 1 34 34 SER HB3 H 1 4.085 0.000 . 1 . . . . . 55 SER HB3 . 51296 1 371 . 1 . 1 34 34 SER C C 13 171.627 0.000 . 1 . . . . . 55 SER C . 51296 1 372 . 1 . 1 34 34 SER CA C 13 61.623 0.006 . 1 . . . . . 55 SER CA . 51296 1 373 . 1 . 1 34 34 SER CB C 13 62.664 0.051 . 1 . . . . . 55 SER CB . 51296 1 374 . 1 . 1 34 34 SER N N 15 116.133 0.039 . 1 . . . . . 55 SER N . 51296 1 375 . 1 . 1 35 35 ARG H H 1 7.294 0.004 . 1 . . . . . 56 ARG H . 51296 1 376 . 1 . 1 35 35 ARG HA H 1 4.542 0.000 . 1 . . . . . 56 ARG HA . 51296 1 377 . 1 . 1 35 35 ARG HB2 H 1 1.853 0.000 . 2 . . . . . 56 ARG HB2 . 51296 1 378 . 1 . 1 35 35 ARG HB3 H 1 2.076 0.000 . 2 . . . . . 56 ARG HB3 . 51296 1 379 . 1 . 1 35 35 ARG HG2 H 1 1.373 0.000 . 1 . . . . . 56 ARG HG2 . 51296 1 380 . 1 . 1 35 35 ARG HG3 H 1 1.373 0.000 . 1 . . . . . 56 ARG HG3 . 51296 1 381 . 1 . 1 35 35 ARG HD2 H 1 3.216 0.000 . 1 . . . . . 56 ARG HD2 . 51296 1 382 . 1 . 1 35 35 ARG HD3 H 1 3.216 0.000 . 1 . . . . . 56 ARG HD3 . 51296 1 383 . 1 . 1 35 35 ARG C C 13 174.158 0.020 . 1 . . . . . 56 ARG C . 51296 1 384 . 1 . 1 35 35 ARG CA C 13 53.960 0.053 . 1 . . . . . 56 ARG CA . 51296 1 385 . 1 . 1 35 35 ARG CB C 13 32.520 0.012 . 1 . . . . . 56 ARG CB . 51296 1 386 . 1 . 1 35 35 ARG CG C 13 25.098 0.000 . 1 . . . . . 56 ARG CG . 51296 1 387 . 1 . 1 35 35 ARG CD C 13 43.576 0.000 . 1 . . . . . 56 ARG CD . 51296 1 388 . 1 . 1 35 35 ARG N N 15 115.994 0.060 . 1 . . . . . 56 ARG N . 51296 1 389 . 1 . 1 36 36 TYR H H 1 8.323 0.005 . 1 . . . . . 57 TYR H . 51296 1 390 . 1 . 1 36 36 TYR HA H 1 4.534 0.000 . 1 . . . . . 57 TYR HA . 51296 1 391 . 1 . 1 36 36 TYR HB2 H 1 2.898 0.000 . 2 . . . . . 57 TYR HB2 . 51296 1 392 . 1 . 1 36 36 TYR HB3 H 1 2.387 0.000 . 2 . . . . . 57 TYR HB3 . 51296 1 393 . 1 . 1 36 36 TYR HD1 H 1 7.063 0.007 . 1 . . . . . 57 TYR HD1 . 51296 1 394 . 1 . 1 36 36 TYR HD2 H 1 7.063 0.007 . 1 . . . . . 57 TYR HD2 . 51296 1 395 . 1 . 1 36 36 TYR HE1 H 1 6.718 0.009 . 1 . . . . . 57 TYR HE1 . 51296 1 396 . 1 . 1 36 36 TYR HE2 H 1 6.718 0.009 . 1 . . . . . 57 TYR HE2 . 51296 1 397 . 1 . 1 36 36 TYR C C 13 174.922 0.000 . 1 . . . . . 57 TYR C . 51296 1 398 . 1 . 1 36 36 TYR CA C 13 57.686 0.000 . 1 . . . . . 57 TYR CA . 51296 1 399 . 1 . 1 36 36 TYR CB C 13 37.286 0.045 . 1 . . . . . 57 TYR CB . 51296 1 400 . 1 . 1 36 36 TYR CD1 C 13 132.841 0.000 . 1 . . . . . 57 TYR CD1 . 51296 1 401 . 1 . 1 36 36 TYR CD2 C 13 132.841 0.000 . 1 . . . . . 57 TYR CD2 . 51296 1 402 . 1 . 1 36 36 TYR CE1 C 13 118.343 0.000 . 1 . . . . . 57 TYR CE1 . 51296 1 403 . 1 . 1 36 36 TYR CE2 C 13 118.343 0.000 . 1 . . . . . 57 TYR CE2 . 51296 1 404 . 1 . 1 36 36 TYR N N 15 116.673 0.067 . 1 . . . . . 57 TYR N . 51296 1 405 . 1 . 1 37 37 PRO HA H 1 4.675 0.000 . 1 . . . . . 58 PRO HA . 51296 1 406 . 1 . 1 37 37 PRO HB2 H 1 1.801 0.000 . 1 . . . . . 58 PRO HB2 . 51296 1 407 . 1 . 1 37 37 PRO HB3 H 1 1.801 0.000 . 1 . . . . . 58 PRO HB3 . 51296 1 408 . 1 . 1 37 37 PRO HG2 H 1 1.465 0.000 . 1 . . . . . 58 PRO HG2 . 51296 1 409 . 1 . 1 37 37 PRO HG3 H 1 1.465 0.000 . 1 . . . . . 58 PRO HG3 . 51296 1 410 . 1 . 1 37 37 PRO C C 13 176.234 0.052 . 1 . . . . . 58 PRO C . 51296 1 411 . 1 . 1 37 37 PRO CA C 13 62.728 0.030 . 1 . . . . . 58 PRO CA . 51296 1 412 . 1 . 1 37 37 PRO CB C 13 30.698 0.025 . 1 . . . . . 58 PRO CB . 51296 1 413 . 1 . 1 37 37 PRO CG C 13 27.002 0.000 . 1 . . . . . 58 PRO CG . 51296 1 414 . 1 . 1 37 37 PRO CD C 13 50.602 0.000 . 1 . . . . . 58 PRO CD . 51296 1 415 . 1 . 1 38 38 THR H H 1 8.696 0.004 . 1 . . . . . 59 THR H . 51296 1 416 . 1 . 1 38 38 THR HA H 1 4.909 0.000 . 1 . . . . . 59 THR HA . 51296 1 417 . 1 . 1 38 38 THR HB H 1 4.313 0.000 . 1 . . . . . 59 THR HB . 51296 1 418 . 1 . 1 38 38 THR HG21 H 1 1.343 0.000 . 1 . . . . . 59 THR HG21 . 51296 1 419 . 1 . 1 38 38 THR HG22 H 1 1.343 0.000 . 1 . . . . . 59 THR HG22 . 51296 1 420 . 1 . 1 38 38 THR HG23 H 1 1.343 0.000 . 1 . . . . . 59 THR HG23 . 51296 1 421 . 1 . 1 38 38 THR C C 13 176.138 0.004 . 1 . . . . . 59 THR C . 51296 1 422 . 1 . 1 38 38 THR CA C 13 60.892 0.004 . 1 . . . . . 59 THR CA . 51296 1 423 . 1 . 1 38 38 THR CB C 13 71.701 0.008 . 1 . . . . . 59 THR CB . 51296 1 424 . 1 . 1 38 38 THR CG2 C 13 22.423 0.000 . 1 . . . . . 59 THR CG2 . 51296 1 425 . 1 . 1 38 38 THR N N 15 113.773 0.053 . 1 . . . . . 59 THR N . 51296 1 426 . 1 . 1 39 39 THR H H 1 8.568 0.004 . 1 . . . . . 60 THR H . 51296 1 427 . 1 . 1 39 39 THR HA H 1 4.203 0.000 . 1 . . . . . 60 THR HA . 51296 1 428 . 1 . 1 39 39 THR HB H 1 3.645 0.000 . 1 . . . . . 60 THR HB . 51296 1 429 . 1 . 1 39 39 THR HG21 H 1 1.440 0.000 . 1 . . . . . 60 THR HG21 . 51296 1 430 . 1 . 1 39 39 THR HG22 H 1 1.440 0.000 . 1 . . . . . 60 THR HG22 . 51296 1 431 . 1 . 1 39 39 THR HG23 H 1 1.440 0.000 . 1 . . . . . 60 THR HG23 . 51296 1 432 . 1 . 1 39 39 THR C C 13 175.833 0.000 . 1 . . . . . 60 THR C . 51296 1 433 . 1 . 1 39 39 THR CA C 13 66.743 0.021 . 1 . . . . . 60 THR CA . 51296 1 434 . 1 . 1 39 39 THR CB C 13 69.605 0.031 . 1 . . . . . 60 THR CB . 51296 1 435 . 1 . 1 39 39 THR CG2 C 13 22.669 0.000 . 1 . . . . . 60 THR CG2 . 51296 1 436 . 1 . 1 39 39 THR N N 15 116.625 0.043 . 1 . . . . . 60 THR N . 51296 1 437 . 1 . 1 40 40 GLU H H 1 8.701 0.004 . 1 . . . . . 61 GLU H . 51296 1 438 . 1 . 1 40 40 GLU HA H 1 3.976 0.000 . 1 . . . . . 61 GLU HA . 51296 1 439 . 1 . 1 40 40 GLU HB2 H 1 1.965 0.000 . 2 . . . . . 61 GLU HB2 . 51296 1 440 . 1 . 1 40 40 GLU HB3 H 1 2.070 0.000 . 2 . . . . . 61 GLU HB3 . 51296 1 441 . 1 . 1 40 40 GLU HG2 H 1 2.322 0.000 . 1 . . . . . 61 GLU HG2 . 51296 1 442 . 1 . 1 40 40 GLU HG3 H 1 2.322 0.000 . 1 . . . . . 61 GLU HG3 . 51296 1 443 . 1 . 1 40 40 GLU C C 13 178.442 0.009 . 1 . . . . . 61 GLU C . 51296 1 444 . 1 . 1 40 40 GLU CA C 13 59.679 0.009 . 1 . . . . . 61 GLU CA . 51296 1 445 . 1 . 1 40 40 GLU CB C 13 29.443 0.014 . 1 . . . . . 61 GLU CB . 51296 1 446 . 1 . 1 40 40 GLU CG C 13 36.742 0.000 . 1 . . . . . 61 GLU CG . 51296 1 447 . 1 . 1 40 40 GLU N N 15 119.403 0.052 . 1 . . . . . 61 GLU N . 51296 1 448 . 1 . 1 41 41 GLN H H 1 7.612 0.005 . 1 . . . . . 62 GLN H . 51296 1 449 . 1 . 1 41 41 GLN HA H 1 3.933 0.000 . 1 . . . . . 62 GLN HA . 51296 1 450 . 1 . 1 41 41 GLN HB2 H 1 2.165 0.000 . 2 . . . . . 62 GLN HB2 . 51296 1 451 . 1 . 1 41 41 GLN HB3 H 1 1.854 0.000 . 2 . . . . . 62 GLN HB3 . 51296 1 452 . 1 . 1 41 41 GLN HG2 H 1 2.569 0.000 . 2 . . . . . 62 GLN HG2 . 51296 1 453 . 1 . 1 41 41 GLN HG3 H 1 2.379 0.000 . 2 . . . . . 62 GLN HG3 . 51296 1 454 . 1 . 1 41 41 GLN HE21 H 1 7.245 0.000 . 1 . . . . . 62 GLN HE21 . 51296 1 455 . 1 . 1 41 41 GLN HE22 H 1 6.787 0.000 . 1 . . . . . 62 GLN HE22 . 51296 1 456 . 1 . 1 41 41 GLN C C 13 178.532 0.005 . 1 . . . . . 62 GLN C . 51296 1 457 . 1 . 1 41 41 GLN CA C 13 58.734 0.005 . 1 . . . . . 62 GLN CA . 51296 1 458 . 1 . 1 41 41 GLN CB C 13 28.728 0.048 . 1 . . . . . 62 GLN CB . 51296 1 459 . 1 . 1 41 41 GLN CG C 13 35.289 0.000 . 1 . . . . . 62 GLN CG . 51296 1 460 . 1 . 1 41 41 GLN N N 15 119.686 0.038 . 1 . . . . . 62 GLN N . 51296 1 461 . 1 . 1 41 41 GLN NE2 N 15 112.360 0.005 . 1 . . . . . 62 GLN NE2 . 51296 1 462 . 1 . 1 42 42 GLY H H 1 8.300 0.005 . 1 . . . . . 63 GLY H . 51296 1 463 . 1 . 1 42 42 GLY HA2 H 1 4.252 0.000 . 2 . . . . . 63 GLY HA2 . 51296 1 464 . 1 . 1 42 42 GLY HA3 H 1 3.905 0.000 . 2 . . . . . 63 GLY HA3 . 51296 1 465 . 1 . 1 42 42 GLY C C 13 172.751 0.010 . 1 . . . . . 63 GLY C . 51296 1 466 . 1 . 1 42 42 GLY CA C 13 45.242 0.019 . 1 . . . . . 63 GLY CA . 51296 1 467 . 1 . 1 42 42 GLY N N 15 104.628 0.049 . 1 . . . . . 63 GLY N . 51296 1 468 . 1 . 1 43 43 LEU H H 1 8.775 0.004 . 1 . . . . . 64 LEU H . 51296 1 469 . 1 . 1 43 43 LEU HA H 1 3.900 0.000 . 1 . . . . . 64 LEU HA . 51296 1 470 . 1 . 1 43 43 LEU HB2 H 1 1.805 0.000 . 1 . . . . . 64 LEU HB2 . 51296 1 471 . 1 . 1 43 43 LEU HB3 H 1 1.805 0.000 . 1 . . . . . 64 LEU HB3 . 51296 1 472 . 1 . 1 43 43 LEU HG H 1 1.465 0.000 . 1 . . . . . 64 LEU HG . 51296 1 473 . 1 . 1 43 43 LEU HD11 H 1 0.807 0.000 . 1 . . . . . 64 LEU HD11 . 51296 1 474 . 1 . 1 43 43 LEU HD12 H 1 0.807 0.000 . 1 . . . . . 64 LEU HD12 . 51296 1 475 . 1 . 1 43 43 LEU HD13 H 1 0.807 0.000 . 1 . . . . . 64 LEU HD13 . 51296 1 476 . 1 . 1 43 43 LEU HD21 H 1 0.807 0.000 . 1 . . . . . 64 LEU HD21 . 51296 1 477 . 1 . 1 43 43 LEU HD22 H 1 0.807 0.000 . 1 . . . . . 64 LEU HD22 . 51296 1 478 . 1 . 1 43 43 LEU HD23 H 1 0.807 0.000 . 1 . . . . . 64 LEU HD23 . 51296 1 479 . 1 . 1 43 43 LEU C C 13 179.485 0.010 . 1 . . . . . 64 LEU C . 51296 1 480 . 1 . 1 43 43 LEU CA C 13 56.773 0.017 . 1 . . . . . 64 LEU CA . 51296 1 481 . 1 . 1 43 43 LEU CB C 13 41.761 0.021 . 1 . . . . . 64 LEU CB . 51296 1 482 . 1 . 1 43 43 LEU CG C 13 26.817 0.000 . 1 . . . . . 64 LEU CG . 51296 1 483 . 1 . 1 43 43 LEU CD1 C 13 26.227 0.000 . 2 . . . . . 64 LEU CD1 . 51296 1 484 . 1 . 1 43 43 LEU CD2 C 13 24.485 0.000 . 2 . . . . . 64 LEU CD2 . 51296 1 485 . 1 . 1 43 43 LEU N N 15 116.786 0.041 . 1 . . . . . 64 LEU N . 51296 1 486 . 1 . 1 44 44 GLY H H 1 9.035 0.005 . 1 . . . . . 65 GLY H . 51296 1 487 . 1 . 1 44 44 GLY HA2 H 1 4.065 0.000 . 2 . . . . . 65 GLY HA2 . 51296 1 488 . 1 . 1 44 44 GLY HA3 H 1 3.850 0.000 . 2 . . . . . 65 GLY HA3 . 51296 1 489 . 1 . 1 44 44 GLY C C 13 176.049 0.009 . 1 . . . . . 65 GLY C . 51296 1 490 . 1 . 1 44 44 GLY CA C 13 47.159 0.021 . 1 . . . . . 65 GLY CA . 51296 1 491 . 1 . 1 44 44 GLY N N 15 106.833 0.038 . 1 . . . . . 65 GLY N . 51296 1 492 . 1 . 1 45 45 ALA H H 1 7.561 0.005 . 1 . . . . . 66 ALA H . 51296 1 493 . 1 . 1 45 45 ALA HA H 1 4.638 0.000 . 1 . . . . . 66 ALA HA . 51296 1 494 . 1 . 1 45 45 ALA HB1 H 1 1.462 0.000 . 1 . . . . . 66 ALA HB1 . 51296 1 495 . 1 . 1 45 45 ALA HB2 H 1 1.462 0.000 . 1 . . . . . 66 ALA HB2 . 51296 1 496 . 1 . 1 45 45 ALA HB3 H 1 1.462 0.000 . 1 . . . . . 66 ALA HB3 . 51296 1 497 . 1 . 1 45 45 ALA C C 13 178.724 0.012 . 1 . . . . . 66 ALA C . 51296 1 498 . 1 . 1 45 45 ALA CA C 13 53.992 0.011 . 1 . . . . . 66 ALA CA . 51296 1 499 . 1 . 1 45 45 ALA CB C 13 19.416 0.026 . 1 . . . . . 66 ALA CB . 51296 1 500 . 1 . 1 45 45 ALA N N 15 122.706 0.058 . 1 . . . . . 66 ALA N . 51296 1 501 . 1 . 1 46 46 LEU H H 1 8.467 0.005 . 1 . . . . . 67 LEU H . 51296 1 502 . 1 . 1 46 46 LEU HA H 1 4.623 0.000 . 1 . . . . . 67 LEU HA . 51296 1 503 . 1 . 1 46 46 LEU HB2 H 1 1.606 0.000 . 1 . . . . . 67 LEU HB2 . 51296 1 504 . 1 . 1 46 46 LEU HB3 H 1 1.606 0.000 . 1 . . . . . 67 LEU HB3 . 51296 1 505 . 1 . 1 46 46 LEU HG H 1 1.606 0.000 . 1 . . . . . 67 LEU HG . 51296 1 506 . 1 . 1 46 46 LEU HD11 H 1 0.952 0.000 . 1 . . . . . 67 LEU HD11 . 51296 1 507 . 1 . 1 46 46 LEU HD12 H 1 0.952 0.000 . 1 . . . . . 67 LEU HD12 . 51296 1 508 . 1 . 1 46 46 LEU HD13 H 1 0.952 0.000 . 1 . . . . . 67 LEU HD13 . 51296 1 509 . 1 . 1 46 46 LEU HD21 H 1 0.952 0.000 . 1 . . . . . 67 LEU HD21 . 51296 1 510 . 1 . 1 46 46 LEU HD22 H 1 0.952 0.000 . 1 . . . . . 67 LEU HD22 . 51296 1 511 . 1 . 1 46 46 LEU HD23 H 1 0.952 0.000 . 1 . . . . . 67 LEU HD23 . 51296 1 512 . 1 . 1 46 46 LEU C C 13 175.973 0.005 . 1 . . . . . 67 LEU C . 51296 1 513 . 1 . 1 46 46 LEU CA C 13 55.901 0.012 . 1 . . . . . 67 LEU CA . 51296 1 514 . 1 . 1 46 46 LEU CB C 13 43.075 0.022 . 1 . . . . . 67 LEU CB . 51296 1 515 . 1 . 1 46 46 LEU CG C 13 26.623 0.000 . 1 . . . . . 67 LEU CG . 51296 1 516 . 1 . 1 46 46 LEU N N 15 114.893 0.043 . 1 . . . . . 67 LEU N . 51296 1 517 . 1 . 1 47 47 VAL H H 1 7.825 0.006 . 1 . . . . . 68 VAL H . 51296 1 518 . 1 . 1 47 47 VAL HA H 1 4.704 0.000 . 1 . . . . . 68 VAL HA . 51296 1 519 . 1 . 1 47 47 VAL HB H 1 2.203 0.000 . 1 . . . . . 68 VAL HB . 51296 1 520 . 1 . 1 47 47 VAL HG11 H 1 0.951 0.000 . 1 . . . . . 68 VAL HG11 . 51296 1 521 . 1 . 1 47 47 VAL HG12 H 1 0.951 0.000 . 1 . . . . . 68 VAL HG12 . 51296 1 522 . 1 . 1 47 47 VAL HG13 H 1 0.951 0.000 . 1 . . . . . 68 VAL HG13 . 51296 1 523 . 1 . 1 47 47 VAL HG21 H 1 0.951 0.000 . 1 . . . . . 68 VAL HG21 . 51296 1 524 . 1 . 1 47 47 VAL HG22 H 1 0.951 0.000 . 1 . . . . . 68 VAL HG22 . 51296 1 525 . 1 . 1 47 47 VAL HG23 H 1 0.951 0.000 . 1 . . . . . 68 VAL HG23 . 51296 1 526 . 1 . 1 47 47 VAL C C 13 175.112 0.018 . 1 . . . . . 68 VAL C . 51296 1 527 . 1 . 1 47 47 VAL CA C 13 62.627 0.038 . 1 . . . . . 68 VAL CA . 51296 1 528 . 1 . 1 47 47 VAL CB C 13 34.195 0.013 . 1 . . . . . 68 VAL CB . 51296 1 529 . 1 . 1 47 47 VAL CG1 C 13 21.593 0.000 . 1 . . . . . 68 VAL CG1 . 51296 1 530 . 1 . 1 47 47 VAL CG2 C 13 21.593 0.000 . 1 . . . . . 68 VAL CG2 . 51296 1 531 . 1 . 1 47 47 VAL N N 15 118.215 0.046 . 1 . . . . . 68 VAL N . 51296 1 532 . 1 . 1 48 48 LYS H H 1 7.805 0.005 . 1 . . . . . 69 LYS H . 51296 1 533 . 1 . 1 48 48 LYS HA H 1 4.578 0.000 . 1 . . . . . 69 LYS HA . 51296 1 534 . 1 . 1 48 48 LYS HG2 H 1 1.380 0.000 . 1 . . . . . 69 LYS HG2 . 51296 1 535 . 1 . 1 48 48 LYS HG3 H 1 1.380 0.000 . 1 . . . . . 69 LYS HG3 . 51296 1 536 . 1 . 1 48 48 LYS HD2 H 1 1.654 0.000 . 1 . . . . . 69 LYS HD2 . 51296 1 537 . 1 . 1 48 48 LYS HD3 H 1 1.654 0.000 . 1 . . . . . 69 LYS HD3 . 51296 1 538 . 1 . 1 48 48 LYS HE2 H 1 3.015 0.000 . 1 . . . . . 69 LYS HE2 . 51296 1 539 . 1 . 1 48 48 LYS HE3 H 1 3.015 0.000 . 1 . . . . . 69 LYS HE3 . 51296 1 540 . 1 . 1 48 48 LYS C C 13 174.940 0.029 . 1 . . . . . 69 LYS C . 51296 1 541 . 1 . 1 48 48 LYS CA C 13 54.281 0.010 . 1 . . . . . 69 LYS CA . 51296 1 542 . 1 . 1 48 48 LYS CB C 13 36.038 0.033 . 1 . . . . . 69 LYS CB . 51296 1 543 . 1 . 1 48 48 LYS CG C 13 24.490 0.000 . 1 . . . . . 69 LYS CG . 51296 1 544 . 1 . 1 48 48 LYS CD C 13 29.491 0.000 . 1 . . . . . 69 LYS CD . 51296 1 545 . 1 . 1 48 48 LYS CE C 13 42.311 0.000 . 1 . . . . . 69 LYS CE . 51296 1 546 . 1 . 1 48 48 LYS N N 15 118.695 0.039 . 1 . . . . . 69 LYS N . 51296 1 547 . 1 . 1 49 49 LYS H H 1 8.241 0.005 . 1 . . . . . 70 LYS H . 51296 1 548 . 1 . 1 49 49 LYS HG2 H 1 1.079 0.000 . 1 . . . . . 70 LYS HG2 . 51296 1 549 . 1 . 1 49 49 LYS HG3 H 1 1.079 0.000 . 1 . . . . . 70 LYS HG3 . 51296 1 550 . 1 . 1 49 49 LYS HE2 H 1 2.893 0.000 . 1 . . . . . 70 LYS HE2 . 51296 1 551 . 1 . 1 49 49 LYS HE3 H 1 2.893 0.000 . 1 . . . . . 70 LYS HE3 . 51296 1 552 . 1 . 1 49 49 LYS C C 13 175.184 0.000 . 1 . . . . . 70 LYS C . 51296 1 553 . 1 . 1 49 49 LYS CA C 13 54.941 0.000 . 1 . . . . . 70 LYS CA . 51296 1 554 . 1 . 1 49 49 LYS CB C 13 33.369 0.000 . 1 . . . . . 70 LYS CB . 51296 1 555 . 1 . 1 49 49 LYS N N 15 125.698 0.053 . 1 . . . . . 70 LYS N . 51296 1 556 . 1 . 1 50 50 PRO HA H 1 4.499 0.000 . 1 . . . . . 71 PRO HA . 51296 1 557 . 1 . 1 50 50 PRO HB2 H 1 2.559 0.000 . 2 . . . . . 71 PRO HB2 . 51296 1 558 . 1 . 1 50 50 PRO HB3 H 1 2.278 0.000 . 2 . . . . . 71 PRO HB3 . 51296 1 559 . 1 . 1 50 50 PRO HG2 H 1 2.014 0.000 . 1 . . . . . 71 PRO HG2 . 51296 1 560 . 1 . 1 50 50 PRO HG3 H 1 2.014 0.000 . 1 . . . . . 71 PRO HG3 . 51296 1 561 . 1 . 1 50 50 PRO C C 13 176.821 0.005 . 1 . . . . . 71 PRO C . 51296 1 562 . 1 . 1 50 50 PRO CA C 13 63.457 0.005 . 1 . . . . . 71 PRO CA . 51296 1 563 . 1 . 1 50 50 PRO CB C 13 33.515 0.015 . 1 . . . . . 71 PRO CB . 51296 1 564 . 1 . 1 50 50 PRO CG C 13 27.489 0.000 . 1 . . . . . 71 PRO CG . 51296 1 565 . 1 . 1 50 50 PRO CD C 13 51.714 0.000 . 1 . . . . . 71 PRO CD . 51296 1 566 . 1 . 1 51 51 THR H H 1 8.495 0.006 . 1 . . . . . 72 THR H . 51296 1 567 . 1 . 1 51 51 THR HA H 1 4.445 0.000 . 1 . . . . . 72 THR HA . 51296 1 568 . 1 . 1 51 51 THR HB H 1 4.445 0.000 . 1 . . . . . 72 THR HB . 51296 1 569 . 1 . 1 51 51 THR HG21 H 1 1.212 0.000 . 1 . . . . . 72 THR HG21 . 51296 1 570 . 1 . 1 51 51 THR HG22 H 1 1.212 0.000 . 1 . . . . . 72 THR HG22 . 51296 1 571 . 1 . 1 51 51 THR HG23 H 1 1.212 0.000 . 1 . . . . . 72 THR HG23 . 51296 1 572 . 1 . 1 51 51 THR C C 13 174.638 0.011 . 1 . . . . . 72 THR C . 51296 1 573 . 1 . 1 51 51 THR CA C 13 61.429 0.011 . 1 . . . . . 72 THR CA . 51296 1 574 . 1 . 1 51 51 THR CB C 13 69.010 0.002 . 1 . . . . . 72 THR CB . 51296 1 575 . 1 . 1 51 51 THR CG2 C 13 21.840 0.000 . 1 . . . . . 72 THR CG2 . 51296 1 576 . 1 . 1 51 51 THR N N 15 111.935 0.048 . 1 . . . . . 72 THR N . 51296 1 577 . 1 . 1 52 52 THR H H 1 7.530 0.005 . 1 . . . . . 73 THR H . 51296 1 578 . 1 . 1 52 52 THR HA H 1 4.707 0.000 . 1 . . . . . 73 THR HA . 51296 1 579 . 1 . 1 52 52 THR HB H 1 4.141 0.000 . 1 . . . . . 73 THR HB . 51296 1 580 . 1 . 1 52 52 THR HG21 H 1 1.253 0.000 . 1 . . . . . 73 THR HG21 . 51296 1 581 . 1 . 1 52 52 THR HG22 H 1 1.253 0.000 . 1 . . . . . 73 THR HG22 . 51296 1 582 . 1 . 1 52 52 THR HG23 H 1 1.253 0.000 . 1 . . . . . 73 THR HG23 . 51296 1 583 . 1 . 1 52 52 THR C C 13 172.195 0.000 . 1 . . . . . 73 THR C . 51296 1 584 . 1 . 1 52 52 THR CA C 13 58.777 0.000 . 1 . . . . . 73 THR CA . 51296 1 585 . 1 . 1 52 52 THR CB C 13 69.968 0.000 . 1 . . . . . 73 THR CB . 51296 1 586 . 1 . 1 52 52 THR CG2 C 13 22.198 0.000 . 1 . . . . . 73 THR CG2 . 51296 1 587 . 1 . 1 52 52 THR N N 15 117.108 0.061 . 1 . . . . . 73 THR N . 51296 1 588 . 1 . 1 54 54 PRO HA H 1 4.530 0.000 . 1 . . . . . 75 PRO HA . 51296 1 589 . 1 . 1 54 54 PRO HB2 H 1 2.359 0.000 . 1 . . . . . 75 PRO HB2 . 51296 1 590 . 1 . 1 54 54 PRO HB3 H 1 2.359 0.000 . 1 . . . . . 75 PRO HB3 . 51296 1 591 . 1 . 1 54 54 PRO HG2 H 1 2.006 0.000 . 2 . . . . . 75 PRO HG2 . 51296 1 592 . 1 . 1 54 54 PRO HG3 H 1 2.182 0.000 . 2 . . . . . 75 PRO HG3 . 51296 1 593 . 1 . 1 54 54 PRO HD2 H 1 3.479 0.000 . 1 . . . . . 75 PRO HD2 . 51296 1 594 . 1 . 1 54 54 PRO HD3 H 1 3.479 0.000 . 1 . . . . . 75 PRO HD3 . 51296 1 595 . 1 . 1 54 54 PRO C C 13 176.527 0.011 . 1 . . . . . 75 PRO C . 51296 1 596 . 1 . 1 54 54 PRO CA C 13 61.621 0.020 . 1 . . . . . 75 PRO CA . 51296 1 597 . 1 . 1 54 54 PRO CB C 13 33.850 0.049 . 1 . . . . . 75 PRO CB . 51296 1 598 . 1 . 1 54 54 PRO CG C 13 24.933 0.000 . 1 . . . . . 75 PRO CG . 51296 1 599 . 1 . 1 54 54 PRO CD C 13 50.699 0.000 . 1 . . . . . 75 PRO CD . 51296 1 600 . 1 . 1 55 55 GLU H H 1 9.426 0.005 . 1 . . . . . 76 GLU H . 51296 1 601 . 1 . 1 55 55 GLU HA H 1 4.386 0.000 . 1 . . . . . 76 GLU HA . 51296 1 602 . 1 . 1 55 55 GLU HB2 H 1 1.906 0.000 . 1 . . . . . 76 GLU HB2 . 51296 1 603 . 1 . 1 55 55 GLU HB3 H 1 1.906 0.000 . 1 . . . . . 76 GLU HB3 . 51296 1 604 . 1 . 1 55 55 GLU C C 13 175.056 0.000 . 1 . . . . . 76 GLU C . 51296 1 605 . 1 . 1 55 55 GLU CA C 13 54.904 0.000 . 1 . . . . . 76 GLU CA . 51296 1 606 . 1 . 1 55 55 GLU CB C 13 29.937 0.000 . 1 . . . . . 76 GLU CB . 51296 1 607 . 1 . 1 55 55 GLU N N 15 130.196 0.051 . 1 . . . . . 76 GLU N . 51296 1 608 . 1 . 1 56 56 PRO HA H 1 4.571 0.000 . 1 . . . . . 77 PRO HA . 51296 1 609 . 1 . 1 56 56 PRO HB2 H 1 2.182 0.000 . 1 . . . . . 77 PRO HB2 . 51296 1 610 . 1 . 1 56 56 PRO HB3 H 1 2.182 0.000 . 1 . . . . . 77 PRO HB3 . 51296 1 611 . 1 . 1 56 56 PRO C C 13 176.644 0.026 . 1 . . . . . 77 PRO C . 51296 1 612 . 1 . 1 56 56 PRO CA C 13 62.662 0.007 . 1 . . . . . 77 PRO CA . 51296 1 613 . 1 . 1 56 56 PRO CB C 13 31.526 0.025 . 1 . . . . . 77 PRO CB . 51296 1 614 . 1 . 1 56 56 PRO CG C 13 28.280 0.000 . 1 . . . . . 77 PRO CG . 51296 1 615 . 1 . 1 56 56 PRO CD C 13 50.346 0.000 . 1 . . . . . 77 PRO CD . 51296 1 616 . 1 . 1 57 57 ARG H H 1 8.706 0.005 . 1 . . . . . 78 ARG H . 51296 1 617 . 1 . 1 57 57 ARG HA H 1 4.262 0.000 . 1 . . . . . 78 ARG HA . 51296 1 618 . 1 . 1 57 57 ARG HB2 H 1 1.944 0.000 . 1 . . . . . 78 ARG HB2 . 51296 1 619 . 1 . 1 57 57 ARG HB3 H 1 1.944 0.000 . 1 . . . . . 78 ARG HB3 . 51296 1 620 . 1 . 1 57 57 ARG HG2 H 1 1.750 0.000 . 1 . . . . . 78 ARG HG2 . 51296 1 621 . 1 . 1 57 57 ARG HG3 H 1 1.750 0.000 . 1 . . . . . 78 ARG HG3 . 51296 1 622 . 1 . 1 57 57 ARG HD2 H 1 3.237 0.000 . 1 . . . . . 78 ARG HD2 . 51296 1 623 . 1 . 1 57 57 ARG HD3 H 1 3.237 0.000 . 1 . . . . . 78 ARG HD3 . 51296 1 624 . 1 . 1 57 57 ARG C C 13 176.683 0.015 . 1 . . . . . 78 ARG C . 51296 1 625 . 1 . 1 57 57 ARG CA C 13 57.314 0.018 . 1 . . . . . 78 ARG CA . 51296 1 626 . 1 . 1 57 57 ARG CB C 13 30.576 0.049 . 1 . . . . . 78 ARG CB . 51296 1 627 . 1 . 1 57 57 ARG CG C 13 27.204 0.000 . 1 . . . . . 78 ARG CG . 51296 1 628 . 1 . 1 57 57 ARG CD C 13 43.341 0.000 . 1 . . . . . 78 ARG CD . 51296 1 629 . 1 . 1 57 57 ARG N N 15 123.480 0.032 . 1 . . . . . 78 ARG N . 51296 1 630 . 1 . 1 58 58 SER H H 1 8.602 0.005 . 1 . . . . . 79 SER H . 51296 1 631 . 1 . 1 58 58 SER HA H 1 4.208 0.000 . 1 . . . . . 79 SER HA . 51296 1 632 . 1 . 1 58 58 SER HB2 H 1 3.710 0.000 . 2 . . . . . 79 SER HB2 . 51296 1 633 . 1 . 1 58 58 SER HB3 H 1 3.494 0.000 . 2 . . . . . 79 SER HB3 . 51296 1 634 . 1 . 1 58 58 SER C C 13 172.130 0.006 . 1 . . . . . 79 SER C . 51296 1 635 . 1 . 1 58 58 SER CA C 13 56.312 0.001 . 1 . . . . . 79 SER CA . 51296 1 636 . 1 . 1 58 58 SER CB C 13 63.880 0.046 . 1 . . . . . 79 SER CB . 51296 1 637 . 1 . 1 58 58 SER N N 15 117.276 0.038 . 1 . . . . . 79 SER N . 51296 1 638 . 1 . 1 59 59 TYR H H 1 8.209 0.005 . 1 . . . . . 80 TYR H . 51296 1 639 . 1 . 1 59 59 TYR HA H 1 4.556 0.000 . 1 . . . . . 80 TYR HA . 51296 1 640 . 1 . 1 59 59 TYR HB2 H 1 2.599 0.000 . 2 . . . . . 80 TYR HB2 . 51296 1 641 . 1 . 1 59 59 TYR HB3 H 1 2.972 0.000 . 2 . . . . . 80 TYR HB3 . 51296 1 642 . 1 . 1 59 59 TYR C C 13 173.832 0.000 . 1 . . . . . 80 TYR C . 51296 1 643 . 1 . 1 59 59 TYR CA C 13 56.679 0.000 . 1 . . . . . 80 TYR CA . 51296 1 644 . 1 . 1 59 59 TYR CB C 13 41.585 0.000 . 1 . . . . . 80 TYR CB . 51296 1 645 . 1 . 1 59 59 TYR N N 15 125.346 0.065 . 1 . . . . . 80 TYR N . 51296 1 646 . 1 . 1 60 60 PRO HA H 1 4.284 0.000 . 1 . . . . . 81 PRO HA . 51296 1 647 . 1 . 1 60 60 PRO HB2 H 1 1.866 0.000 . 1 . . . . . 81 PRO HB2 . 51296 1 648 . 1 . 1 60 60 PRO HB3 H 1 1.866 0.000 . 1 . . . . . 81 PRO HB3 . 51296 1 649 . 1 . 1 60 60 PRO HG2 H 1 1.504 0.000 . 1 . . . . . 81 PRO HG2 . 51296 1 650 . 1 . 1 60 60 PRO HG3 H 1 1.504 0.000 . 1 . . . . . 81 PRO HG3 . 51296 1 651 . 1 . 1 60 60 PRO C C 13 177.468 0.016 . 1 . . . . . 81 PRO C . 51296 1 652 . 1 . 1 60 60 PRO CA C 13 62.222 0.004 . 1 . . . . . 81 PRO CA . 51296 1 653 . 1 . 1 60 60 PRO CB C 13 31.589 0.024 . 1 . . . . . 81 PRO CB . 51296 1 654 . 1 . 1 60 60 PRO CG C 13 26.345 0.000 . 1 . . . . . 81 PRO CG . 51296 1 655 . 1 . 1 60 60 PRO CD C 13 50.907 0.000 . 1 . . . . . 81 PRO CD . 51296 1 656 . 1 . 1 61 61 GLN H H 1 8.576 0.005 . 1 . . . . . 82 GLN H . 51296 1 657 . 1 . 1 61 61 GLN HA H 1 4.011 0.000 . 1 . . . . . 82 GLN HA . 51296 1 658 . 1 . 1 61 61 GLN HB2 H 1 2.124 0.000 . 2 . . . . . 82 GLN HB2 . 51296 1 659 . 1 . 1 61 61 GLN HB3 H 1 1.963 0.000 . 2 . . . . . 82 GLN HB3 . 51296 1 660 . 1 . 1 61 61 GLN HG2 H 1 2.401 0.000 . 1 . . . . . 82 GLN HG2 . 51296 1 661 . 1 . 1 61 61 GLN HG3 H 1 2.401 0.000 . 1 . . . . . 82 GLN HG3 . 51296 1 662 . 1 . 1 61 61 GLN HE21 H 1 6.855 0.004 . 1 . . . . . 82 GLN HE21 . 51296 1 663 . 1 . 1 61 61 GLN HE22 H 1 7.658 0.005 . 1 . . . . . 82 GLN HE22 . 51296 1 664 . 1 . 1 61 61 GLN C C 13 177.070 0.014 . 1 . . . . . 82 GLN C . 51296 1 665 . 1 . 1 61 61 GLN CA C 13 58.980 0.055 . 1 . . . . . 82 GLN CA . 51296 1 666 . 1 . 1 61 61 GLN CB C 13 28.795 0.010 . 1 . . . . . 82 GLN CB . 51296 1 667 . 1 . 1 61 61 GLN CG C 13 33.579 0.024 . 1 . . . . . 82 GLN CG . 51296 1 668 . 1 . 1 61 61 GLN N N 15 121.894 0.026 . 1 . . . . . 82 GLN N . 51296 1 669 . 1 . 1 61 61 GLN NE2 N 15 112.635 0.045 . 1 . . . . . 82 GLN NE2 . 51296 1 670 . 1 . 1 62 62 ASP H H 1 8.387 0.005 . 1 . . . . . 83 ASP H . 51296 1 671 . 1 . 1 62 62 ASP HA H 1 4.872 0.000 . 1 . . . . . 83 ASP HA . 51296 1 672 . 1 . 1 62 62 ASP HB2 H 1 2.830 0.000 . 2 . . . . . 83 ASP HB2 . 51296 1 673 . 1 . 1 62 62 ASP HB3 H 1 2.511 0.000 . 2 . . . . . 83 ASP HB3 . 51296 1 674 . 1 . 1 62 62 ASP C C 13 176.659 0.008 . 1 . . . . . 83 ASP C . 51296 1 675 . 1 . 1 62 62 ASP CA C 13 53.930 0.020 . 1 . . . . . 83 ASP CA . 51296 1 676 . 1 . 1 62 62 ASP CB C 13 40.765 0.012 . 1 . . . . . 83 ASP CB . 51296 1 677 . 1 . 1 62 62 ASP N N 15 115.388 0.052 . 1 . . . . . 83 ASP N . 51296 1 678 . 1 . 1 63 63 GLY H H 1 7.499 0.004 . 1 . . . . . 84 GLY H . 51296 1 679 . 1 . 1 63 63 GLY HA2 H 1 3.993 0.000 . 2 . . . . . 84 GLY HA2 . 51296 1 680 . 1 . 1 63 63 GLY HA3 H 1 3.281 0.000 . 2 . . . . . 84 GLY HA3 . 51296 1 681 . 1 . 1 63 63 GLY C C 13 172.242 0.013 . 1 . . . . . 84 GLY C . 51296 1 682 . 1 . 1 63 63 GLY CA C 13 45.003 0.010 . 1 . . . . . 84 GLY CA . 51296 1 683 . 1 . 1 63 63 GLY N N 15 105.775 0.055 . 1 . . . . . 84 GLY N . 51296 1 684 . 1 . 1 64 64 TYR H H 1 8.437 0.006 . 1 . . . . . 85 TYR H . 51296 1 685 . 1 . 1 64 64 TYR HA H 1 4.253 0.000 . 1 . . . . . 85 TYR HA . 51296 1 686 . 1 . 1 64 64 TYR HB2 H 1 3.221 0.000 . 2 . . . . . 85 TYR HB2 . 51296 1 687 . 1 . 1 64 64 TYR HB3 H 1 3.068 0.000 . 2 . . . . . 85 TYR HB3 . 51296 1 688 . 1 . 1 64 64 TYR HD1 H 1 7.104 0.006 . 1 . . . . . 85 TYR HD1 . 51296 1 689 . 1 . 1 64 64 TYR HD2 H 1 7.104 0.006 . 1 . . . . . 85 TYR HD2 . 51296 1 690 . 1 . 1 64 64 TYR HE1 H 1 6.528 0.005 . 1 . . . . . 85 TYR HE1 . 51296 1 691 . 1 . 1 64 64 TYR HE2 H 1 6.528 0.005 . 1 . . . . . 85 TYR HE2 . 51296 1 692 . 1 . 1 64 64 TYR C C 13 175.814 0.005 . 1 . . . . . 85 TYR C . 51296 1 693 . 1 . 1 64 64 TYR CA C 13 61.176 0.018 . 1 . . . . . 85 TYR CA . 51296 1 694 . 1 . 1 64 64 TYR CB C 13 40.457 0.079 . 1 . . . . . 85 TYR CB . 51296 1 695 . 1 . 1 64 64 TYR CD1 C 13 133.535 0.000 . 1 . . . . . 85 TYR CD1 . 51296 1 696 . 1 . 1 64 64 TYR CD2 C 13 133.535 0.000 . 1 . . . . . 85 TYR CD2 . 51296 1 697 . 1 . 1 64 64 TYR CE1 C 13 119.008 0.000 . 1 . . . . . 85 TYR CE1 . 51296 1 698 . 1 . 1 64 64 TYR CE2 C 13 119.008 0.000 . 1 . . . . . 85 TYR CE2 . 51296 1 699 . 1 . 1 64 64 TYR N N 15 115.951 0.051 . 1 . . . . . 85 TYR N . 51296 1 700 . 1 . 1 65 65 ILE H H 1 7.948 0.005 . 1 . . . . . 86 ILE H . 51296 1 701 . 1 . 1 65 65 ILE HA H 1 4.491 0.000 . 1 . . . . . 86 ILE HA . 51296 1 702 . 1 . 1 65 65 ILE HB H 1 1.777 0.000 . 1 . . . . . 86 ILE HB . 51296 1 703 . 1 . 1 65 65 ILE HG12 H 1 1.379 0.000 . 1 . . . . . 86 ILE HG12 . 51296 1 704 . 1 . 1 65 65 ILE HG13 H 1 1.379 0.000 . 1 . . . . . 86 ILE HG13 . 51296 1 705 . 1 . 1 65 65 ILE HG21 H 1 1.016 0.000 . 1 . . . . . 86 ILE HG21 . 51296 1 706 . 1 . 1 65 65 ILE HG22 H 1 1.016 0.000 . 1 . . . . . 86 ILE HG22 . 51296 1 707 . 1 . 1 65 65 ILE HG23 H 1 1.016 0.000 . 1 . . . . . 86 ILE HG23 . 51296 1 708 . 1 . 1 65 65 ILE HD11 H 1 0.782 0.000 . 1 . . . . . 86 ILE HD11 . 51296 1 709 . 1 . 1 65 65 ILE HD12 H 1 0.782 0.000 . 1 . . . . . 86 ILE HD12 . 51296 1 710 . 1 . 1 65 65 ILE HD13 H 1 0.782 0.000 . 1 . . . . . 86 ILE HD13 . 51296 1 711 . 1 . 1 65 65 ILE C C 13 174.002 0.015 . 1 . . . . . 86 ILE C . 51296 1 712 . 1 . 1 65 65 ILE CA C 13 59.770 0.002 . 1 . . . . . 86 ILE CA . 51296 1 713 . 1 . 1 65 65 ILE CB C 13 41.918 0.009 . 1 . . . . . 86 ILE CB . 51296 1 714 . 1 . 1 65 65 ILE CG1 C 13 27.242 0.000 . 1 . . . . . 86 ILE CG1 . 51296 1 715 . 1 . 1 65 65 ILE CG2 C 13 17.931 0.000 . 1 . . . . . 86 ILE CG2 . 51296 1 716 . 1 . 1 65 65 ILE CD1 C 13 13.749 0.000 . 1 . . . . . 86 ILE CD1 . 51296 1 717 . 1 . 1 65 65 ILE N N 15 116.825 0.032 . 1 . . . . . 86 ILE N . 51296 1 718 . 1 . 1 66 66 ARG H H 1 8.441 0.005 . 1 . . . . . 87 ARG H . 51296 1 719 . 1 . 1 66 66 ARG HA H 1 4.300 0.000 . 1 . . . . . 87 ARG HA . 51296 1 720 . 1 . 1 66 66 ARG HB2 H 1 1.852 0.000 . 1 . . . . . 87 ARG HB2 . 51296 1 721 . 1 . 1 66 66 ARG HB3 H 1 1.852 0.000 . 1 . . . . . 87 ARG HB3 . 51296 1 722 . 1 . 1 66 66 ARG HG2 H 1 1.852 0.000 . 1 . . . . . 87 ARG HG2 . 51296 1 723 . 1 . 1 66 66 ARG HG3 H 1 1.852 0.000 . 1 . . . . . 87 ARG HG3 . 51296 1 724 . 1 . 1 66 66 ARG HD2 H 1 3.268 0.000 . 1 . . . . . 87 ARG HD2 . 51296 1 725 . 1 . 1 66 66 ARG HD3 H 1 3.268 0.000 . 1 . . . . . 87 ARG HD3 . 51296 1 726 . 1 . 1 66 66 ARG C C 13 176.854 0.019 . 1 . . . . . 87 ARG C . 51296 1 727 . 1 . 1 66 66 ARG CA C 13 57.860 0.007 . 1 . . . . . 87 ARG CA . 51296 1 728 . 1 . 1 66 66 ARG CB C 13 31.022 0.035 . 1 . . . . . 87 ARG CB . 51296 1 729 . 1 . 1 66 66 ARG CG C 13 26.868 0.000 . 1 . . . . . 87 ARG CG . 51296 1 730 . 1 . 1 66 66 ARG CD C 13 43.040 0.000 . 1 . . . . . 87 ARG CD . 51296 1 731 . 1 . 1 66 66 ARG N N 15 120.277 0.054 . 1 . . . . . 87 ARG N . 51296 1 732 . 1 . 1 67 67 ARG H H 1 7.296 0.005 . 1 . . . . . 88 ARG H . 51296 1 733 . 1 . 1 67 67 ARG HA H 1 4.396 0.000 . 1 . . . . . 88 ARG HA . 51296 1 734 . 1 . 1 67 67 ARG HB2 H 1 1.751 0.000 . 1 . . . . . 88 ARG HB2 . 51296 1 735 . 1 . 1 67 67 ARG HB3 H 1 1.751 0.000 . 1 . . . . . 88 ARG HB3 . 51296 1 736 . 1 . 1 67 67 ARG HG2 H 1 1.415 0.000 . 1 . . . . . 88 ARG HG2 . 51296 1 737 . 1 . 1 67 67 ARG HG3 H 1 1.415 0.000 . 1 . . . . . 88 ARG HG3 . 51296 1 738 . 1 . 1 67 67 ARG HD2 H 1 3.145 0.000 . 1 . . . . . 88 ARG HD2 . 51296 1 739 . 1 . 1 67 67 ARG HD3 H 1 3.145 0.000 . 1 . . . . . 88 ARG HD3 . 51296 1 740 . 1 . 1 67 67 ARG C C 13 174.036 0.016 . 1 . . . . . 88 ARG C . 51296 1 741 . 1 . 1 67 67 ARG CA C 13 54.562 0.007 . 1 . . . . . 88 ARG CA . 51296 1 742 . 1 . 1 67 67 ARG CB C 13 32.512 0.030 . 1 . . . . . 88 ARG CB . 51296 1 743 . 1 . 1 67 67 ARG CG C 13 26.066 0.000 . 1 . . . . . 88 ARG CG . 51296 1 744 . 1 . 1 67 67 ARG CD C 13 43.345 0.000 . 1 . . . . . 88 ARG CD . 51296 1 745 . 1 . 1 67 67 ARG N N 15 113.101 0.040 . 1 . . . . . 88 ARG N . 51296 1 746 . 1 . 1 68 68 LEU H H 1 8.953 0.005 . 1 . . . . . 89 LEU H . 51296 1 747 . 1 . 1 68 68 LEU HA H 1 4.562 0.000 . 1 . . . . . 89 LEU HA . 51296 1 748 . 1 . 1 68 68 LEU HB2 H 1 1.638 0.000 . 1 . . . . . 89 LEU HB2 . 51296 1 749 . 1 . 1 68 68 LEU HB3 H 1 1.638 0.000 . 1 . . . . . 89 LEU HB3 . 51296 1 750 . 1 . 1 68 68 LEU C C 13 174.832 0.000 . 1 . . . . . 89 LEU C . 51296 1 751 . 1 . 1 68 68 LEU CA C 13 52.127 0.000 . 1 . . . . . 89 LEU CA . 51296 1 752 . 1 . 1 68 68 LEU CB C 13 41.433 0.000 . 1 . . . . . 89 LEU CB . 51296 1 753 . 1 . 1 68 68 LEU N N 15 125.451 0.065 . 1 . . . . . 89 LEU N . 51296 1 754 . 1 . 1 69 69 PRO HA H 1 4.606 0.000 . 1 . . . . . 90 PRO HA . 51296 1 755 . 1 . 1 69 69 PRO HB2 H 1 2.136 0.000 . 1 . . . . . 90 PRO HB2 . 51296 1 756 . 1 . 1 69 69 PRO HB3 H 1 2.136 0.000 . 1 . . . . . 90 PRO HB3 . 51296 1 757 . 1 . 1 69 69 PRO HG2 H 1 1.902 0.000 . 1 . . . . . 90 PRO HG2 . 51296 1 758 . 1 . 1 69 69 PRO HG3 H 1 1.902 0.000 . 1 . . . . . 90 PRO HG3 . 51296 1 759 . 1 . 1 69 69 PRO C C 13 175.513 0.005 . 1 . . . . . 90 PRO C . 51296 1 760 . 1 . 1 69 69 PRO CA C 13 62.332 0.010 . 1 . . . . . 90 PRO CA . 51296 1 761 . 1 . 1 69 69 PRO CB C 13 32.000 0.029 . 1 . . . . . 90 PRO CB . 51296 1 762 . 1 . 1 69 69 PRO CG C 13 26.028 0.000 . 1 . . . . . 90 PRO CG . 51296 1 763 . 1 . 1 69 69 PRO CD C 13 50.205 0.000 . 1 . . . . . 90 PRO CD . 51296 1 764 . 1 . 1 70 70 GLN H H 1 8.102 0.005 . 1 . . . . . 91 GLN H . 51296 1 765 . 1 . 1 70 70 GLN HA H 1 4.406 0.000 . 1 . . . . . 91 GLN HA . 51296 1 766 . 1 . 1 70 70 GLN HB2 H 1 1.800 0.000 . 1 . . . . . 91 GLN HB2 . 51296 1 767 . 1 . 1 70 70 GLN HB3 H 1 1.800 0.000 . 1 . . . . . 91 GLN HB3 . 51296 1 768 . 1 . 1 70 70 GLN HG2 H 1 2.202 0.000 . 1 . . . . . 91 GLN HG2 . 51296 1 769 . 1 . 1 70 70 GLN HG3 H 1 2.202 0.000 . 1 . . . . . 91 GLN HG3 . 51296 1 770 . 1 . 1 70 70 GLN HE21 H 1 7.766 0.003 . 1 . . . . . 91 GLN HE21 . 51296 1 771 . 1 . 1 70 70 GLN HE22 H 1 6.644 0.008 . 1 . . . . . 91 GLN HE22 . 51296 1 772 . 1 . 1 70 70 GLN C C 13 174.654 0.002 . 1 . . . . . 91 GLN C . 51296 1 773 . 1 . 1 70 70 GLN CA C 13 55.055 0.012 . 1 . . . . . 91 GLN CA . 51296 1 774 . 1 . 1 70 70 GLN CB C 13 31.400 0.073 . 1 . . . . . 91 GLN CB . 51296 1 775 . 1 . 1 70 70 GLN CG C 13 35.045 0.038 . 1 . . . . . 91 GLN CG . 51296 1 776 . 1 . 1 70 70 GLN N N 15 118.523 0.046 . 1 . . . . . 91 GLN N . 51296 1 777 . 1 . 1 70 70 GLN NE2 N 15 112.891 0.037 . 1 . . . . . 91 GLN NE2 . 51296 1 778 . 1 . 1 71 71 ASP H H 1 8.828 0.004 . 1 . . . . . 92 ASP H . 51296 1 779 . 1 . 1 71 71 ASP HA H 1 4.652 0.000 . 1 . . . . . 92 ASP HA . 51296 1 780 . 1 . 1 71 71 ASP HB2 H 1 2.768 0.000 . 1 . . . . . 92 ASP HB2 . 51296 1 781 . 1 . 1 71 71 ASP HB3 H 1 2.768 0.000 . 1 . . . . . 92 ASP HB3 . 51296 1 782 . 1 . 1 71 71 ASP C C 13 176.036 0.000 . 1 . . . . . 92 ASP C . 51296 1 783 . 1 . 1 71 71 ASP CA C 13 53.004 0.000 . 1 . . . . . 92 ASP CA . 51296 1 784 . 1 . 1 71 71 ASP CB C 13 39.297 0.000 . 1 . . . . . 92 ASP CB . 51296 1 785 . 1 . 1 71 71 ASP N N 15 123.626 0.064 . 1 . . . . . 92 ASP N . 51296 1 786 . 1 . 1 72 72 PRO HB2 H 1 1.631 0.000 . 1 . . . . . 93 PRO HB2 . 51296 1 787 . 1 . 1 72 72 PRO HB3 H 1 1.631 0.000 . 1 . . . . . 93 PRO HB3 . 51296 1 788 . 1 . 1 72 72 PRO HG2 H 1 1.443 0.000 . 1 . . . . . 93 PRO HG2 . 51296 1 789 . 1 . 1 72 72 PRO HG3 H 1 1.443 0.000 . 1 . . . . . 93 PRO HG3 . 51296 1 790 . 1 . 1 72 72 PRO HD2 H 1 3.857 0.000 . 1 . . . . . 93 PRO HD2 . 51296 1 791 . 1 . 1 72 72 PRO HD3 H 1 3.857 0.000 . 1 . . . . . 93 PRO HD3 . 51296 1 792 . 1 . 1 72 72 PRO C C 13 175.465 0.013 . 1 . . . . . 93 PRO C . 51296 1 793 . 1 . 1 72 72 PRO CA C 13 64.233 0.047 . 1 . . . . . 93 PRO CA . 51296 1 794 . 1 . 1 72 72 PRO CB C 13 30.622 0.033 . 1 . . . . . 93 PRO CB . 51296 1 795 . 1 . 1 72 72 PRO CG C 13 27.276 0.000 . 1 . . . . . 93 PRO CG . 51296 1 796 . 1 . 1 72 72 PRO CD C 13 50.157 0.000 . 1 . . . . . 93 PRO CD . 51296 1 797 . 1 . 1 73 73 TRP H H 1 7.989 0.004 . 1 . . . . . 94 TRP H . 51296 1 798 . 1 . 1 73 73 TRP HA H 1 4.471 0.000 . 1 . . . . . 94 TRP HA . 51296 1 799 . 1 . 1 73 73 TRP HB2 H 1 3.448 0.000 . 2 . . . . . 94 TRP HB2 . 51296 1 800 . 1 . 1 73 73 TRP HB3 H 1 3.259 0.000 . 2 . . . . . 94 TRP HB3 . 51296 1 801 . 1 . 1 73 73 TRP HD1 H 1 7.311 0.010 . 1 . . . . . 94 TRP HD1 . 51296 1 802 . 1 . 1 73 73 TRP HE1 H 1 10.441 0.002 . 1 . . . . . 94 TRP HE1 . 51296 1 803 . 1 . 1 73 73 TRP HZ2 H 1 7.630 0.001 . 1 . . . . . 94 TRP HZ2 . 51296 1 804 . 1 . 1 73 73 TRP HZ3 H 1 7.072 0.000 . 1 . . . . . 94 TRP HZ3 . 51296 1 805 . 1 . 1 73 73 TRP HH2 H 1 6.870 0.000 . 1 . . . . . 94 TRP HH2 . 51296 1 806 . 1 . 1 73 73 TRP C C 13 176.318 0.020 . 1 . . . . . 94 TRP C . 51296 1 807 . 1 . 1 73 73 TRP CA C 13 58.959 0.012 . 1 . . . . . 94 TRP CA . 51296 1 808 . 1 . 1 73 73 TRP CB C 13 27.080 0.030 . 1 . . . . . 94 TRP CB . 51296 1 809 . 1 . 1 73 73 TRP CD1 C 13 126.655 0.000 . 1 . . . . . 94 TRP CD1 . 51296 1 810 . 1 . 1 73 73 TRP CZ2 C 13 115.061 0.000 . 1 . . . . . 94 TRP CZ2 . 51296 1 811 . 1 . 1 73 73 TRP CZ3 C 13 120.674 0.000 . 1 . . . . . 94 TRP CZ3 . 51296 1 812 . 1 . 1 73 73 TRP CH2 C 13 123.049 0.000 . 1 . . . . . 94 TRP CH2 . 51296 1 813 . 1 . 1 73 73 TRP N N 15 117.640 0.045 . 1 . . . . . 94 TRP N . 51296 1 814 . 1 . 1 73 73 TRP NE1 N 15 130.622 0.000 . 1 . . . . . 94 TRP NE1 . 51296 1 815 . 1 . 1 74 74 GLY H H 1 7.977 0.004 . 1 . . . . . 95 GLY H . 51296 1 816 . 1 . 1 74 74 GLY HA2 H 1 4.201 0.000 . 1 . . . . . 95 GLY HA2 . 51296 1 817 . 1 . 1 74 74 GLY HA3 H 1 4.201 0.000 . 1 . . . . . 95 GLY HA3 . 51296 1 818 . 1 . 1 74 74 GLY C C 13 173.204 0.009 . 1 . . . . . 95 GLY C . 51296 1 819 . 1 . 1 74 74 GLY CA C 13 45.426 0.029 . 1 . . . . . 95 GLY CA . 51296 1 820 . 1 . 1 74 74 GLY N N 15 109.095 0.052 . 1 . . . . . 95 GLY N . 51296 1 821 . 1 . 1 75 75 ALA H H 1 8.200 0.005 . 1 . . . . . 96 ALA H . 51296 1 822 . 1 . 1 75 75 ALA HA H 1 4.692 0.000 . 1 . . . . . 96 ALA HA . 51296 1 823 . 1 . 1 75 75 ALA HB1 H 1 1.450 0.000 . 1 . . . . . 96 ALA HB1 . 51296 1 824 . 1 . 1 75 75 ALA HB2 H 1 1.450 0.000 . 1 . . . . . 96 ALA HB2 . 51296 1 825 . 1 . 1 75 75 ALA HB3 H 1 1.450 0.000 . 1 . . . . . 96 ALA HB3 . 51296 1 826 . 1 . 1 75 75 ALA C C 13 176.201 0.015 . 1 . . . . . 96 ALA C . 51296 1 827 . 1 . 1 75 75 ALA CA C 13 50.301 0.012 . 1 . . . . . 96 ALA CA . 51296 1 828 . 1 . 1 75 75 ALA CB C 13 21.548 0.023 . 1 . . . . . 96 ALA CB . 51296 1 829 . 1 . 1 75 75 ALA N N 15 125.445 0.031 . 1 . . . . . 96 ALA N . 51296 1 830 . 1 . 1 76 76 GLU H H 1 8.226 0.005 . 1 . . . . . 97 GLU H . 51296 1 831 . 1 . 1 76 76 GLU HA H 1 4.367 0.000 . 1 . . . . . 97 GLU HA . 51296 1 832 . 1 . 1 76 76 GLU HB2 H 1 1.588 0.000 . 2 . . . . . 97 GLU HB2 . 51296 1 833 . 1 . 1 76 76 GLU HB3 H 1 2.225 0.000 . 2 . . . . . 97 GLU HB3 . 51296 1 834 . 1 . 1 76 76 GLU HG2 H 1 2.374 0.000 . 1 . . . . . 97 GLU HG2 . 51296 1 835 . 1 . 1 76 76 GLU HG3 H 1 2.374 0.000 . 1 . . . . . 97 GLU HG3 . 51296 1 836 . 1 . 1 76 76 GLU C C 13 179.536 0.003 . 1 . . . . . 97 GLU C . 51296 1 837 . 1 . 1 76 76 GLU CA C 13 55.499 0.007 . 1 . . . . . 97 GLU CA . 51296 1 838 . 1 . 1 76 76 GLU CB C 13 29.489 0.005 . 1 . . . . . 97 GLU CB . 51296 1 839 . 1 . 1 76 76 GLU CG C 13 36.125 0.000 . 1 . . . . . 97 GLU CG . 51296 1 840 . 1 . 1 76 76 GLU N N 15 117.659 0.037 . 1 . . . . . 97 GLU N . 51296 1 841 . 1 . 1 77 77 TYR H H 1 9.016 0.005 . 1 . . . . . 98 TYR H . 51296 1 842 . 1 . 1 77 77 TYR HA H 1 4.243 0.000 . 1 . . . . . 98 TYR HA . 51296 1 843 . 1 . 1 77 77 TYR HB2 H 1 2.460 0.000 . 1 . . . . . 98 TYR HB2 . 51296 1 844 . 1 . 1 77 77 TYR HB3 H 1 2.460 0.000 . 1 . . . . . 98 TYR HB3 . 51296 1 845 . 1 . 1 77 77 TYR C C 13 174.151 0.012 . 1 . . . . . 98 TYR C . 51296 1 846 . 1 . 1 77 77 TYR CA C 13 60.413 0.004 . 1 . . . . . 98 TYR CA . 51296 1 847 . 1 . 1 77 77 TYR CB C 13 39.525 0.034 . 1 . . . . . 98 TYR CB . 51296 1 848 . 1 . 1 77 77 TYR N N 15 123.849 0.036 . 1 . . . . . 98 TYR N . 51296 1 849 . 1 . 1 78 78 GLN H H 1 8.675 0.004 . 1 . . . . . 99 GLN H . 51296 1 850 . 1 . 1 78 78 GLN HA H 1 4.287 0.000 . 1 . . . . . 99 GLN HA . 51296 1 851 . 1 . 1 78 78 GLN HB2 H 1 1.529 0.000 . 1 . . . . . 99 GLN HB2 . 51296 1 852 . 1 . 1 78 78 GLN HB3 H 1 1.529 0.000 . 1 . . . . . 99 GLN HB3 . 51296 1 853 . 1 . 1 78 78 GLN HG2 H 1 1.724 0.000 . 1 . . . . . 99 GLN HG2 . 51296 1 854 . 1 . 1 78 78 GLN HG3 H 1 1.724 0.000 . 1 . . . . . 99 GLN HG3 . 51296 1 855 . 1 . 1 78 78 GLN HE21 H 1 6.734 0.000 . 1 . . . . . 99 GLN HE21 . 51296 1 856 . 1 . 1 78 78 GLN HE22 H 1 6.801 0.000 . 1 . . . . . 99 GLN HE22 . 51296 1 857 . 1 . 1 78 78 GLN C C 13 173.684 0.011 . 1 . . . . . 99 GLN C . 51296 1 858 . 1 . 1 78 78 GLN CA C 13 53.413 0.010 . 1 . . . . . 99 GLN CA . 51296 1 859 . 1 . 1 78 78 GLN CB C 13 31.660 0.008 . 1 . . . . . 99 GLN CB . 51296 1 860 . 1 . 1 78 78 GLN CG C 13 32.645 0.000 . 1 . . . . . 99 GLN CG . 51296 1 861 . 1 . 1 78 78 GLN N N 15 117.073 0.045 . 1 . . . . . 99 GLN N . 51296 1 862 . 1 . 1 78 78 GLN NE2 N 15 114.995 0.000 . 1 . . . . . 99 GLN NE2 . 51296 1 863 . 1 . 1 79 79 LEU H H 1 7.877 0.005 . 1 . . . . . 100 LEU H . 51296 1 864 . 1 . 1 79 79 LEU HA H 1 5.523 0.000 . 1 . . . . . 100 LEU HA . 51296 1 865 . 1 . 1 79 79 LEU HB2 H 1 1.807 0.000 . 1 . . . . . 100 LEU HB2 . 51296 1 866 . 1 . 1 79 79 LEU HB3 H 1 1.807 0.000 . 1 . . . . . 100 LEU HB3 . 51296 1 867 . 1 . 1 79 79 LEU HG H 1 1.213 0.000 . 1 . . . . . 100 LEU HG . 51296 1 868 . 1 . 1 79 79 LEU HD11 H 1 0.731 0.000 . 2 . . . . . 100 LEU HD11 . 51296 1 869 . 1 . 1 79 79 LEU HD12 H 1 0.731 0.000 . 2 . . . . . 100 LEU HD12 . 51296 1 870 . 1 . 1 79 79 LEU HD13 H 1 0.731 0.000 . 2 . . . . . 100 LEU HD13 . 51296 1 871 . 1 . 1 79 79 LEU HD21 H 1 0.507 0.000 . 2 . . . . . 100 LEU HD21 . 51296 1 872 . 1 . 1 79 79 LEU HD22 H 1 0.507 0.000 . 2 . . . . . 100 LEU HD22 . 51296 1 873 . 1 . 1 79 79 LEU HD23 H 1 0.507 0.000 . 2 . . . . . 100 LEU HD23 . 51296 1 874 . 1 . 1 79 79 LEU C C 13 176.558 0.019 . 1 . . . . . 100 LEU C . 51296 1 875 . 1 . 1 79 79 LEU CA C 13 52.992 0.076 . 1 . . . . . 100 LEU CA . 51296 1 876 . 1 . 1 79 79 LEU CB C 13 46.461 0.010 . 1 . . . . . 100 LEU CB . 51296 1 877 . 1 . 1 79 79 LEU CG C 13 27.844 0.000 . 1 . . . . . 100 LEU CG . 51296 1 878 . 1 . 1 79 79 LEU CD1 C 13 26.267 0.000 . 2 . . . . . 100 LEU CD1 . 51296 1 879 . 1 . 1 79 79 LEU CD2 C 13 25.248 0.000 . 2 . . . . . 100 LEU CD2 . 51296 1 880 . 1 . 1 79 79 LEU N N 15 120.368 0.036 . 1 . . . . . 100 LEU N . 51296 1 881 . 1 . 1 80 80 VAL H H 1 9.204 0.006 . 1 . . . . . 101 VAL H . 51296 1 882 . 1 . 1 80 80 VAL HA H 1 4.438 0.000 . 1 . . . . . 101 VAL HA . 51296 1 883 . 1 . 1 80 80 VAL HB H 1 2.247 0.000 . 1 . . . . . 101 VAL HB . 51296 1 884 . 1 . 1 80 80 VAL HG11 H 1 1.260 0.000 . 2 . . . . . 101 VAL HG11 . 51296 1 885 . 1 . 1 80 80 VAL HG12 H 1 1.260 0.000 . 2 . . . . . 101 VAL HG12 . 51296 1 886 . 1 . 1 80 80 VAL HG13 H 1 1.260 0.000 . 2 . . . . . 101 VAL HG13 . 51296 1 887 . 1 . 1 80 80 VAL HG21 H 1 1.109 0.000 . 2 . . . . . 101 VAL HG21 . 51296 1 888 . 1 . 1 80 80 VAL HG22 H 1 1.109 0.000 . 2 . . . . . 101 VAL HG22 . 51296 1 889 . 1 . 1 80 80 VAL HG23 H 1 1.109 0.000 . 2 . . . . . 101 VAL HG23 . 51296 1 890 . 1 . 1 80 80 VAL C C 13 174.614 0.007 . 1 . . . . . 101 VAL C . 51296 1 891 . 1 . 1 80 80 VAL CA C 13 62.871 0.005 . 1 . . . . . 101 VAL CA . 51296 1 892 . 1 . 1 80 80 VAL CB C 13 34.482 0.024 . 1 . . . . . 101 VAL CB . 51296 1 893 . 1 . 1 80 80 VAL CG1 C 13 21.591 0.000 . 1 . . . . . 101 VAL CG1 . 51296 1 894 . 1 . 1 80 80 VAL CG2 C 13 21.591 0.000 . 1 . . . . . 101 VAL CG2 . 51296 1 895 . 1 . 1 80 80 VAL N N 15 127.803 0.061 . 1 . . . . . 101 VAL N . 51296 1 896 . 1 . 1 81 81 SER H H 1 8.804 0.005 . 1 . . . . . 102 SER H . 51296 1 897 . 1 . 1 81 81 SER HA H 1 4.298 0.000 . 1 . . . . . 102 SER HA . 51296 1 898 . 1 . 1 81 81 SER HB2 H 1 3.348 0.000 . 1 . . . . . 102 SER HB2 . 51296 1 899 . 1 . 1 81 81 SER HB3 H 1 3.348 0.000 . 1 . . . . . 102 SER HB3 . 51296 1 900 . 1 . 1 81 81 SER C C 13 172.210 0.000 . 1 . . . . . 102 SER C . 51296 1 901 . 1 . 1 81 81 SER CA C 13 52.738 0.000 . 1 . . . . . 102 SER CA . 51296 1 902 . 1 . 1 81 81 SER CB C 13 65.027 0.000 . 1 . . . . . 102 SER CB . 51296 1 903 . 1 . 1 81 81 SER N N 15 121.565 0.058 . 1 . . . . . 102 SER N . 51296 1 904 . 1 . 1 82 82 PRO HA H 1 4.865 0.000 . 1 . . . . . 103 PRO HA . 51296 1 905 . 1 . 1 82 82 PRO HB2 H 1 2.625 0.000 . 1 . . . . . 103 PRO HB2 . 51296 1 906 . 1 . 1 82 82 PRO HB3 H 1 2.625 0.000 . 1 . . . . . 103 PRO HB3 . 51296 1 907 . 1 . 1 82 82 PRO HG2 H 1 2.093 0.000 . 1 . . . . . 103 PRO HG2 . 51296 1 908 . 1 . 1 82 82 PRO HG3 H 1 2.093 0.000 . 1 . . . . . 103 PRO HG3 . 51296 1 909 . 1 . 1 82 82 PRO C C 13 176.280 0.002 . 1 . . . . . 103 PRO C . 51296 1 910 . 1 . 1 82 82 PRO CA C 13 63.601 0.001 . 1 . . . . . 103 PRO CA . 51296 1 911 . 1 . 1 82 82 PRO CB C 13 34.617 0.025 . 1 . . . . . 103 PRO CB . 51296 1 912 . 1 . 1 82 82 PRO CG C 13 25.802 0.000 . 1 . . . . . 103 PRO CG . 51296 1 913 . 1 . 1 82 82 PRO CD C 13 50.786 0.000 . 1 . . . . . 103 PRO CD . 51296 1 914 . 1 . 1 83 83 GLY H H 1 7.743 0.005 . 1 . . . . . 104 GLY H . 51296 1 915 . 1 . 1 83 83 GLY HA2 H 1 3.774 0.000 . 1 . . . . . 104 GLY HA2 . 51296 1 916 . 1 . 1 83 83 GLY HA3 H 1 3.774 0.000 . 1 . . . . . 104 GLY HA3 . 51296 1 917 . 1 . 1 83 83 GLY C C 13 173.764 0.008 . 1 . . . . . 104 GLY C . 51296 1 918 . 1 . 1 83 83 GLY CA C 13 45.656 0.014 . 1 . . . . . 104 GLY CA . 51296 1 919 . 1 . 1 83 83 GLY N N 15 108.677 0.049 . 1 . . . . . 104 GLY N . 51296 1 920 . 1 . 1 84 84 ARG H H 1 9.182 0.005 . 1 . . . . . 105 ARG H . 51296 1 921 . 1 . 1 84 84 ARG HA H 1 4.258 0.000 . 1 . . . . . 105 ARG HA . 51296 1 922 . 1 . 1 84 84 ARG HB2 H 1 1.368 0.000 . 1 . . . . . 105 ARG HB2 . 51296 1 923 . 1 . 1 84 84 ARG HB3 H 1 1.368 0.000 . 1 . . . . . 105 ARG HB3 . 51296 1 924 . 1 . 1 84 84 ARG HG2 H 1 1.267 0.000 . 1 . . . . . 105 ARG HG2 . 51296 1 925 . 1 . 1 84 84 ARG HG3 H 1 1.267 0.000 . 1 . . . . . 105 ARG HG3 . 51296 1 926 . 1 . 1 84 84 ARG HD2 H 1 3.028 0.000 . 1 . . . . . 105 ARG HD2 . 51296 1 927 . 1 . 1 84 84 ARG HD3 H 1 3.028 0.000 . 1 . . . . . 105 ARG HD3 . 51296 1 928 . 1 . 1 84 84 ARG C C 13 177.779 0.002 . 1 . . . . . 105 ARG C . 51296 1 929 . 1 . 1 84 84 ARG CA C 13 56.362 0.024 . 1 . . . . . 105 ARG CA . 51296 1 930 . 1 . 1 84 84 ARG CB C 13 31.128 0.069 . 1 . . . . . 105 ARG CB . 51296 1 931 . 1 . 1 84 84 ARG CG C 13 27.688 0.000 . 1 . . . . . 105 ARG CG . 51296 1 932 . 1 . 1 84 84 ARG CD C 13 43.185 0.000 . 1 . . . . . 105 ARG CD . 51296 1 933 . 1 . 1 84 84 ARG N N 15 117.597 0.037 . 1 . . . . . 105 ARG N . 51296 1 934 . 1 . 1 85 85 HIS H H 1 9.589 0.004 . 1 . . . . . 106 HIS H . 51296 1 935 . 1 . 1 85 85 HIS HA H 1 4.296 0.000 . 1 . . . . . 106 HIS HA . 51296 1 936 . 1 . 1 85 85 HIS HB2 H 1 2.670 0.000 . 2 . . . . . 106 HIS HB2 . 51296 1 937 . 1 . 1 85 85 HIS HB3 H 1 2.516 0.000 . 2 . . . . . 106 HIS HB3 . 51296 1 938 . 1 . 1 85 85 HIS HD2 H 1 5.754 0.008 . 1 . . . . . 106 HIS HD2 . 51296 1 939 . 1 . 1 85 85 HIS HE1 H 1 7.933 0.000 . 1 . . . . . 106 HIS HE1 . 51296 1 940 . 1 . 1 85 85 HIS C C 13 173.941 0.008 . 1 . . . . . 106 HIS C . 51296 1 941 . 1 . 1 85 85 HIS CA C 13 55.378 0.014 . 1 . . . . . 106 HIS CA . 51296 1 942 . 1 . 1 85 85 HIS CB C 13 28.570 0.052 . 1 . . . . . 106 HIS CB . 51296 1 943 . 1 . 1 85 85 HIS CD2 C 13 119.144 0.000 . 1 . . . . . 106 HIS CD2 . 51296 1 944 . 1 . 1 85 85 HIS CE1 C 13 134.941 0.000 . 1 . . . . . 106 HIS CE1 . 51296 1 945 . 1 . 1 85 85 HIS N N 15 119.461 0.032 . 1 . . . . . 106 HIS N . 51296 1 946 . 1 . 1 86 86 GLY H H 1 7.583 0.004 . 1 . . . . . 107 GLY H . 51296 1 947 . 1 . 1 86 86 GLY HA2 H 1 4.045 0.000 . 1 . . . . . 107 GLY HA2 . 51296 1 948 . 1 . 1 86 86 GLY HA3 H 1 4.045 0.000 . 1 . . . . . 107 GLY HA3 . 51296 1 949 . 1 . 1 86 86 GLY C C 13 172.511 0.021 . 1 . . . . . 107 GLY C . 51296 1 950 . 1 . 1 86 86 GLY CA C 13 44.303 0.012 . 1 . . . . . 107 GLY CA . 51296 1 951 . 1 . 1 86 86 GLY N N 15 108.358 0.044 . 1 . . . . . 107 GLY N . 51296 1 952 . 1 . 1 87 87 LYS H H 1 8.532 0.004 . 1 . . . . . 108 LYS H . 51296 1 953 . 1 . 1 87 87 LYS HA H 1 4.104 0.000 . 1 . . . . . 108 LYS HA . 51296 1 954 . 1 . 1 87 87 LYS HB2 H 1 1.990 0.000 . 1 . . . . . 108 LYS HB2 . 51296 1 955 . 1 . 1 87 87 LYS HB3 H 1 1.990 0.000 . 1 . . . . . 108 LYS HB3 . 51296 1 956 . 1 . 1 87 87 LYS HD2 H 1 1.667 0.000 . 1 . . . . . 108 LYS HD2 . 51296 1 957 . 1 . 1 87 87 LYS HD3 H 1 1.667 0.000 . 1 . . . . . 108 LYS HD3 . 51296 1 958 . 1 . 1 87 87 LYS HE2 H 1 3.134 0.000 . 1 . . . . . 108 LYS HE2 . 51296 1 959 . 1 . 1 87 87 LYS HE3 H 1 3.134 0.000 . 1 . . . . . 108 LYS HE3 . 51296 1 960 . 1 . 1 87 87 LYS C C 13 178.921 0.021 . 1 . . . . . 108 LYS C . 51296 1 961 . 1 . 1 87 87 LYS CA C 13 60.025 0.001 . 1 . . . . . 108 LYS CA . 51296 1 962 . 1 . 1 87 87 LYS CB C 13 32.260 0.040 . 1 . . . . . 108 LYS CB . 51296 1 963 . 1 . 1 87 87 LYS CG C 13 25.213 0.000 . 1 . . . . . 108 LYS CG . 51296 1 964 . 1 . 1 87 87 LYS CD C 13 29.304 0.000 . 1 . . . . . 108 LYS CD . 51296 1 965 . 1 . 1 87 87 LYS CE C 13 42.279 0.000 . 1 . . . . . 108 LYS CE . 51296 1 966 . 1 . 1 87 87 LYS N N 15 120.087 0.027 . 1 . . . . . 108 LYS N . 51296 1 967 . 1 . 1 88 88 VAL H H 1 7.787 0.005 . 1 . . . . . 109 VAL H . 51296 1 968 . 1 . 1 88 88 VAL HA H 1 4.291 0.000 . 1 . . . . . 109 VAL HA . 51296 1 969 . 1 . 1 88 88 VAL HB H 1 1.441 0.000 . 1 . . . . . 109 VAL HB . 51296 1 970 . 1 . 1 88 88 VAL HG11 H 1 0.341 0.000 . 1 . . . . . 109 VAL HG11 . 51296 1 971 . 1 . 1 88 88 VAL HG12 H 1 0.341 0.000 . 1 . . . . . 109 VAL HG12 . 51296 1 972 . 1 . 1 88 88 VAL HG13 H 1 0.341 0.000 . 1 . . . . . 109 VAL HG13 . 51296 1 973 . 1 . 1 88 88 VAL HG21 H 1 0.341 0.000 . 1 . . . . . 109 VAL HG21 . 51296 1 974 . 1 . 1 88 88 VAL HG22 H 1 0.341 0.000 . 1 . . . . . 109 VAL HG22 . 51296 1 975 . 1 . 1 88 88 VAL HG23 H 1 0.341 0.000 . 1 . . . . . 109 VAL HG23 . 51296 1 976 . 1 . 1 88 88 VAL C C 13 172.494 0.013 . 1 . . . . . 109 VAL C . 51296 1 977 . 1 . 1 88 88 VAL CA C 13 60.469 0.025 . 1 . . . . . 109 VAL CA . 51296 1 978 . 1 . 1 88 88 VAL CB C 13 34.914 0.005 . 1 . . . . . 109 VAL CB . 51296 1 979 . 1 . 1 88 88 VAL CG1 C 13 20.851 0.000 . 1 . . . . . 109 VAL CG1 . 51296 1 980 . 1 . 1 88 88 VAL CG2 C 13 20.851 0.000 . 1 . . . . . 109 VAL CG2 . 51296 1 981 . 1 . 1 88 88 VAL N N 15 113.919 0.055 . 1 . . . . . 109 VAL N . 51296 1 982 . 1 . 1 89 89 ASP H H 1 8.872 0.005 . 1 . . . . . 110 ASP H . 51296 1 983 . 1 . 1 89 89 ASP HA H 1 5.581 0.000 . 1 . . . . . 110 ASP HA . 51296 1 984 . 1 . 1 89 89 ASP HB2 H 1 3.266 0.000 . 2 . . . . . 110 ASP HB2 . 51296 1 985 . 1 . 1 89 89 ASP HB3 H 1 2.892 0.000 . 2 . . . . . 110 ASP HB3 . 51296 1 986 . 1 . 1 89 89 ASP C C 13 174.659 0.026 . 1 . . . . . 110 ASP C . 51296 1 987 . 1 . 1 89 89 ASP CA C 13 52.686 0.015 . 1 . . . . . 110 ASP CA . 51296 1 988 . 1 . 1 89 89 ASP CB C 13 42.036 0.029 . 1 . . . . . 110 ASP CB . 51296 1 989 . 1 . 1 89 89 ASP N N 15 126.108 0.029 . 1 . . . . . 110 ASP N . 51296 1 990 . 1 . 1 90 90 VAL H H 1 8.250 0.005 . 1 . . . . . 111 VAL H . 51296 1 991 . 1 . 1 90 90 VAL HA H 1 5.470 0.000 . 1 . . . . . 111 VAL HA . 51296 1 992 . 1 . 1 90 90 VAL HB H 1 1.729 0.000 . 1 . . . . . 111 VAL HB . 51296 1 993 . 1 . 1 90 90 VAL HG11 H 1 0.826 0.000 . 1 . . . . . 111 VAL HG11 . 51296 1 994 . 1 . 1 90 90 VAL HG12 H 1 0.826 0.000 . 1 . . . . . 111 VAL HG12 . 51296 1 995 . 1 . 1 90 90 VAL HG13 H 1 0.826 0.000 . 1 . . . . . 111 VAL HG13 . 51296 1 996 . 1 . 1 90 90 VAL HG21 H 1 0.826 0.000 . 1 . . . . . 111 VAL HG21 . 51296 1 997 . 1 . 1 90 90 VAL HG22 H 1 0.826 0.000 . 1 . . . . . 111 VAL HG22 . 51296 1 998 . 1 . 1 90 90 VAL HG23 H 1 0.826 0.000 . 1 . . . . . 111 VAL HG23 . 51296 1 999 . 1 . 1 90 90 VAL C C 13 174.698 0.000 . 1 . . . . . 111 VAL C . 51296 1 1000 . 1 . 1 90 90 VAL CA C 13 59.948 0.011 . 1 . . . . . 111 VAL CA . 51296 1 1001 . 1 . 1 90 90 VAL CB C 13 34.413 0.023 . 1 . . . . . 111 VAL CB . 51296 1 1002 . 1 . 1 90 90 VAL CG1 C 13 22.184 0.000 . 2 . . . . . 111 VAL CG1 . 51296 1 1003 . 1 . 1 90 90 VAL CG2 C 13 21.528 0.000 . 2 . . . . . 111 VAL CG2 . 51296 1 1004 . 1 . 1 90 90 VAL N N 15 121.980 0.032 . 1 . . . . . 111 VAL N . 51296 1 1005 . 1 . 1 91 91 PHE H H 1 8.926 0.004 . 1 . . . . . 112 PHE H . 51296 1 1006 . 1 . 1 91 91 PHE HA H 1 5.753 0.000 . 1 . . . . . 112 PHE HA . 51296 1 1007 . 1 . 1 91 91 PHE HB2 H 1 3.442 0.000 . 2 . . . . . 112 PHE HB2 . 51296 1 1008 . 1 . 1 91 91 PHE HB3 H 1 2.964 0.000 . 2 . . . . . 112 PHE HB3 . 51296 1 1009 . 1 . 1 91 91 PHE HD1 H 1 7.098 0.014 . 1 . . . . . 112 PHE HD1 . 51296 1 1010 . 1 . 1 91 91 PHE HD2 H 1 7.098 0.014 . 1 . . . . . 112 PHE HD2 . 51296 1 1011 . 1 . 1 91 91 PHE C C 13 172.786 0.004 . 1 . . . . . 112 PHE C . 51296 1 1012 . 1 . 1 91 91 PHE CA C 13 55.831 0.018 . 1 . . . . . 112 PHE CA . 51296 1 1013 . 1 . 1 91 91 PHE CB C 13 42.867 0.049 . 1 . . . . . 112 PHE CB . 51296 1 1014 . 1 . 1 91 91 PHE CD1 C 13 132.106 0.000 . 1 . . . . . 112 PHE CD1 . 51296 1 1015 . 1 . 1 91 91 PHE CD2 C 13 132.106 0.000 . 1 . . . . . 112 PHE CD2 . 51296 1 1016 . 1 . 1 91 91 PHE N N 15 120.724 0.060 . 1 . . . . . 112 PHE N . 51296 1 1017 . 1 . 1 92 92 SER H H 1 9.484 0.005 . 1 . . . . . 113 SER H . 51296 1 1018 . 1 . 1 92 92 SER HA H 1 4.408 0.000 . 1 . . . . . 113 SER HA . 51296 1 1019 . 1 . 1 92 92 SER HB2 H 1 3.697 0.000 . 1 . . . . . 113 SER HB2 . 51296 1 1020 . 1 . 1 92 92 SER HB3 H 1 3.697 0.000 . 1 . . . . . 113 SER HB3 . 51296 1 1021 . 1 . 1 92 92 SER C C 13 176.361 0.011 . 1 . . . . . 113 SER C . 51296 1 1022 . 1 . 1 92 92 SER CA C 13 53.712 0.027 . 1 . . . . . 113 SER CA . 51296 1 1023 . 1 . 1 92 92 SER CB C 13 65.579 0.029 . 1 . . . . . 113 SER CB . 51296 1 1024 . 1 . 1 92 92 SER N N 15 112.545 0.035 . 1 . . . . . 113 SER N . 51296 1 1025 . 1 . 1 93 93 TYR H H 1 9.393 0.006 . 1 . . . . . 114 TYR H . 51296 1 1026 . 1 . 1 93 93 TYR HA H 1 4.486 0.000 . 1 . . . . . 114 TYR HA . 51296 1 1027 . 1 . 1 93 93 TYR HB2 H 1 3.343 0.000 . 2 . . . . . 114 TYR HB2 . 51296 1 1028 . 1 . 1 93 93 TYR HB3 H 1 2.778 0.000 . 2 . . . . . 114 TYR HB3 . 51296 1 1029 . 1 . 1 93 93 TYR HD1 H 1 6.877 0.009 . 1 . . . . . 114 TYR HD1 . 51296 1 1030 . 1 . 1 93 93 TYR HD2 H 1 6.877 0.009 . 1 . . . . . 114 TYR HD2 . 51296 1 1031 . 1 . 1 93 93 TYR HE1 H 1 6.800 0.008 . 1 . . . . . 114 TYR HE1 . 51296 1 1032 . 1 . 1 93 93 TYR HE2 H 1 6.800 0.008 . 1 . . . . . 114 TYR HE2 . 51296 1 1033 . 1 . 1 93 93 TYR C C 13 177.626 0.012 . 1 . . . . . 114 TYR C . 51296 1 1034 . 1 . 1 93 93 TYR CA C 13 56.576 0.007 . 1 . . . . . 114 TYR CA . 51296 1 1035 . 1 . 1 93 93 TYR CB C 13 36.662 0.045 . 1 . . . . . 114 TYR CB . 51296 1 1036 . 1 . 1 93 93 TYR CD1 C 13 130.918 0.000 . 1 . . . . . 114 TYR CD1 . 51296 1 1037 . 1 . 1 93 93 TYR CD2 C 13 130.918 0.000 . 1 . . . . . 114 TYR CD2 . 51296 1 1038 . 1 . 1 93 93 TYR CE1 C 13 118.248 0.000 . 1 . . . . . 114 TYR CE1 . 51296 1 1039 . 1 . 1 93 93 TYR CE2 C 13 118.248 0.000 . 1 . . . . . 114 TYR CE2 . 51296 1 1040 . 1 . 1 93 93 TYR N N 15 126.001 0.050 . 1 . . . . . 114 TYR N . 51296 1 1041 . 1 . 1 94 94 GLY H H 1 9.178 0.005 . 1 . . . . . 115 GLY H . 51296 1 1042 . 1 . 1 94 94 GLY HA2 H 1 3.756 0.000 . 1 . . . . . 115 GLY HA2 . 51296 1 1043 . 1 . 1 94 94 GLY HA3 H 1 3.756 0.000 . 1 . . . . . 115 GLY HA3 . 51296 1 1044 . 1 . 1 94 94 GLY C C 13 171.080 0.000 . 1 . . . . . 115 GLY C . 51296 1 1045 . 1 . 1 94 94 GLY CA C 13 44.389 0.013 . 1 . . . . . 115 GLY CA . 51296 1 1046 . 1 . 1 94 94 GLY N N 15 109.665 0.051 . 1 . . . . . 115 GLY N . 51296 1 1047 . 1 . 1 95 95 PRO HB2 H 1 2.229 0.000 . 2 . . . . . 116 PRO HB2 . 51296 1 1048 . 1 . 1 95 95 PRO HB3 H 1 1.934 0.000 . 2 . . . . . 116 PRO HB3 . 51296 1 1049 . 1 . 1 95 95 PRO HG2 H 1 1.706 0.000 . 2 . . . . . 116 PRO HG2 . 51296 1 1050 . 1 . 1 95 95 PRO HG3 H 1 1.568 0.000 . 2 . . . . . 116 PRO HG3 . 51296 1 1051 . 1 . 1 95 95 PRO C C 13 178.129 0.029 . 1 . . . . . 116 PRO C . 51296 1 1052 . 1 . 1 95 95 PRO CA C 13 64.040 0.004 . 1 . . . . . 116 PRO CA . 51296 1 1053 . 1 . 1 95 95 PRO CB C 13 31.096 0.029 . 1 . . . . . 116 PRO CB . 51296 1 1054 . 1 . 1 95 95 PRO CG C 13 26.043 0.000 . 1 . . . . . 116 PRO CG . 51296 1 1055 . 1 . 1 95 95 PRO CD C 13 48.496 0.000 . 1 . . . . . 116 PRO CD . 51296 1 1056 . 1 . 1 96 96 ASP H H 1 9.583 0.005 . 1 . . . . . 117 ASP H . 51296 1 1057 . 1 . 1 96 96 ASP HA H 1 4.156 0.000 . 1 . . . . . 117 ASP HA . 51296 1 1058 . 1 . 1 96 96 ASP HB2 H 1 2.892 0.000 . 2 . . . . . 117 ASP HB2 . 51296 1 1059 . 1 . 1 96 96 ASP HB3 H 1 2.533 0.000 . 2 . . . . . 117 ASP HB3 . 51296 1 1060 . 1 . 1 96 96 ASP C C 13 178.072 0.025 . 1 . . . . . 117 ASP C . 51296 1 1061 . 1 . 1 96 96 ASP CA C 13 53.810 0.010 . 1 . . . . . 117 ASP CA . 51296 1 1062 . 1 . 1 96 96 ASP CB C 13 38.996 0.033 . 1 . . . . . 117 ASP CB . 51296 1 1063 . 1 . 1 96 96 ASP N N 15 116.131 0.055 . 1 . . . . . 117 ASP N . 51296 1 1064 . 1 . 1 97 97 GLY H H 1 7.840 0.004 . 1 . . . . . 118 GLY H . 51296 1 1065 . 1 . 1 97 97 GLY HA2 H 1 3.927 0.000 . 2 . . . . . 118 GLY HA2 . 51296 1 1066 . 1 . 1 97 97 GLY HA3 H 1 3.716 0.000 . 2 . . . . . 118 GLY HA3 . 51296 1 1067 . 1 . 1 97 97 GLY C C 13 172.917 0.008 . 1 . . . . . 118 GLY C . 51296 1 1068 . 1 . 1 97 97 GLY CA C 13 46.791 0.046 . 1 . . . . . 118 GLY CA . 51296 1 1069 . 1 . 1 97 97 GLY N N 15 107.152 0.056 . 1 . . . . . 118 GLY N . 51296 1 1070 . 1 . 1 98 98 MET H H 1 8.258 0.005 . 1 . . . . . 119 MET H . 51296 1 1071 . 1 . 1 98 98 MET HA H 1 4.755 0.000 . 1 . . . . . 119 MET HA . 51296 1 1072 . 1 . 1 98 98 MET HB2 H 1 1.836 0.000 . 2 . . . . . 119 MET HB2 . 51296 1 1073 . 1 . 1 98 98 MET HB3 H 1 1.611 0.000 . 2 . . . . . 119 MET HB3 . 51296 1 1074 . 1 . 1 98 98 MET HG2 H 1 2.458 0.000 . 2 . . . . . 119 MET HG2 . 51296 1 1075 . 1 . 1 98 98 MET HG3 H 1 2.342 0.000 . 2 . . . . . 119 MET HG3 . 51296 1 1076 . 1 . 1 98 98 MET C C 13 173.797 0.000 . 1 . . . . . 119 MET C . 51296 1 1077 . 1 . 1 98 98 MET CA C 13 51.134 0.000 . 1 . . . . . 119 MET CA . 51296 1 1078 . 1 . 1 98 98 MET CB C 13 34.275 0.000 . 1 . . . . . 119 MET CB . 51296 1 1079 . 1 . 1 98 98 MET N N 15 117.804 0.056 . 1 . . . . . 119 MET N . 51296 1 1080 . 1 . 1 99 99 PRO HA H 1 4.533 0.000 . 1 . . . . . 120 PRO HA . 51296 1 1081 . 1 . 1 99 99 PRO HB2 H 1 2.059 0.000 . 1 . . . . . 120 PRO HB2 . 51296 1 1082 . 1 . 1 99 99 PRO HB3 H 1 2.059 0.000 . 1 . . . . . 120 PRO HB3 . 51296 1 1083 . 1 . 1 99 99 PRO HG2 H 1 1.918 0.000 . 1 . . . . . 120 PRO HG2 . 51296 1 1084 . 1 . 1 99 99 PRO HG3 H 1 1.918 0.000 . 1 . . . . . 120 PRO HG3 . 51296 1 1085 . 1 . 1 99 99 PRO C C 13 175.693 0.007 . 1 . . . . . 120 PRO C . 51296 1 1086 . 1 . 1 99 99 PRO CA C 13 62.684 0.000 . 1 . . . . . 120 PRO CA . 51296 1 1087 . 1 . 1 99 99 PRO CB C 13 32.454 0.060 . 1 . . . . . 120 PRO CB . 51296 1 1088 . 1 . 1 99 99 PRO CG C 13 26.018 0.000 . 1 . . . . . 120 PRO CG . 51296 1 1089 . 1 . 1 99 99 PRO CD C 13 50.400 0.000 . 1 . . . . . 120 PRO CD . 51296 1 1090 . 1 . 1 100 100 ASP H H 1 10.337 0.005 . 1 . . . . . 121 ASP H . 51296 1 1091 . 1 . 1 100 100 ASP HA H 1 4.188 0.000 . 1 . . . . . 121 ASP HA . 51296 1 1092 . 1 . 1 100 100 ASP HB2 H 1 2.897 0.000 . 2 . . . . . 121 ASP HB2 . 51296 1 1093 . 1 . 1 100 100 ASP HB3 H 1 2.676 0.000 . 2 . . . . . 121 ASP HB3 . 51296 1 1094 . 1 . 1 100 100 ASP C C 13 176.260 0.001 . 1 . . . . . 121 ASP C . 51296 1 1095 . 1 . 1 100 100 ASP CA C 13 54.789 0.009 . 1 . . . . . 121 ASP CA . 51296 1 1096 . 1 . 1 100 100 ASP CB C 13 38.711 0.029 . 1 . . . . . 121 ASP CB . 51296 1 1097 . 1 . 1 100 100 ASP N N 15 118.870 0.061 . 1 . . . . . 121 ASP N . 51296 1 1098 . 1 . 1 101 101 THR H H 1 7.692 0.005 . 1 . . . . . 122 THR H . 51296 1 1099 . 1 . 1 101 101 THR HA H 1 4.886 0.000 . 1 . . . . . 122 THR HA . 51296 1 1100 . 1 . 1 101 101 THR HB H 1 4.606 0.000 . 1 . . . . . 122 THR HB . 51296 1 1101 . 1 . 1 101 101 THR HG21 H 1 1.003 0.000 . 1 . . . . . 122 THR HG21 . 51296 1 1102 . 1 . 1 101 101 THR HG22 H 1 1.003 0.000 . 1 . . . . . 122 THR HG22 . 51296 1 1103 . 1 . 1 101 101 THR HG23 H 1 1.003 0.000 . 1 . . . . . 122 THR HG23 . 51296 1 1104 . 1 . 1 101 101 THR C C 13 175.508 0.011 . 1 . . . . . 122 THR C . 51296 1 1105 . 1 . 1 101 101 THR CA C 13 59.199 0.017 . 1 . . . . . 122 THR CA . 51296 1 1106 . 1 . 1 101 101 THR CB C 13 71.230 0.006 . 1 . . . . . 122 THR CB . 51296 1 1107 . 1 . 1 101 101 THR CG2 C 13 22.548 0.000 . 1 . . . . . 122 THR CG2 . 51296 1 1108 . 1 . 1 101 101 THR N N 15 106.728 0.048 . 1 . . . . . 122 THR N . 51296 1 1109 . 1 . 1 102 102 ASP H H 1 8.384 0.004 . 1 . . . . . 123 ASP H . 51296 1 1110 . 1 . 1 102 102 ASP HA H 1 4.360 0.000 . 1 . . . . . 123 ASP HA . 51296 1 1111 . 1 . 1 102 102 ASP HB2 H 1 2.682 0.000 . 1 . . . . . 123 ASP HB2 . 51296 1 1112 . 1 . 1 102 102 ASP HB3 H 1 2.682 0.000 . 1 . . . . . 123 ASP HB3 . 51296 1 1113 . 1 . 1 102 102 ASP C C 13 176.321 0.025 . 1 . . . . . 123 ASP C . 51296 1 1114 . 1 . 1 102 102 ASP CA C 13 56.900 0.005 . 1 . . . . . 123 ASP CA . 51296 1 1115 . 1 . 1 102 102 ASP CB C 13 40.816 0.009 . 1 . . . . . 123 ASP CB . 51296 1 1116 . 1 . 1 102 102 ASP N N 15 117.631 0.038 . 1 . . . . . 123 ASP N . 51296 1 1117 . 1 . 1 103 103 ASP H H 1 7.578 0.005 . 1 . . . . . 124 ASP H . 51296 1 1118 . 1 . 1 103 103 ASP HA H 1 4.450 0.000 . 1 . . . . . 124 ASP HA . 51296 1 1119 . 1 . 1 103 103 ASP HB2 H 1 2.859 0.000 . 2 . . . . . 124 ASP HB2 . 51296 1 1120 . 1 . 1 103 103 ASP HB3 H 1 2.413 0.000 . 2 . . . . . 124 ASP HB3 . 51296 1 1121 . 1 . 1 103 103 ASP C C 13 177.092 0.014 . 1 . . . . . 124 ASP C . 51296 1 1122 . 1 . 1 103 103 ASP CA C 13 52.732 0.012 . 1 . . . . . 124 ASP CA . 51296 1 1123 . 1 . 1 103 103 ASP CB C 13 41.052 0.037 . 1 . . . . . 124 ASP CB . 51296 1 1124 . 1 . 1 103 103 ASP N N 15 117.912 0.054 . 1 . . . . . 124 ASP N . 51296 1 1125 . 1 . 1 104 104 ASP H H 1 7.371 0.005 . 1 . . . . . 125 ASP H . 51296 1 1126 . 1 . 1 104 104 ASP HA H 1 4.074 0.000 . 1 . . . . . 125 ASP HA . 51296 1 1127 . 1 . 1 104 104 ASP HB2 H 1 2.801 0.000 . 1 . . . . . 125 ASP HB2 . 51296 1 1128 . 1 . 1 104 104 ASP HB3 H 1 2.801 0.000 . 1 . . . . . 125 ASP HB3 . 51296 1 1129 . 1 . 1 104 104 ASP C C 13 176.832 0.036 . 1 . . . . . 125 ASP C . 51296 1 1130 . 1 . 1 104 104 ASP CA C 13 55.934 0.020 . 1 . . . . . 125 ASP CA . 51296 1 1131 . 1 . 1 104 104 ASP CB C 13 40.330 0.036 . 1 . . . . . 125 ASP CB . 51296 1 1132 . 1 . 1 104 104 ASP N N 15 120.077 0.049 . 1 . . . . . 125 ASP N . 51296 1 1133 . 1 . 1 105 105 ILE H H 1 8.047 0.004 . 1 . . . . . 126 ILE H . 51296 1 1134 . 1 . 1 105 105 ILE HA H 1 4.228 0.000 . 1 . . . . . 126 ILE HA . 51296 1 1135 . 1 . 1 105 105 ILE HB H 1 1.669 0.000 . 1 . . . . . 126 ILE HB . 51296 1 1136 . 1 . 1 105 105 ILE HG21 H 1 0.824 0.000 . 1 . . . . . 126 ILE HG21 . 51296 1 1137 . 1 . 1 105 105 ILE HG22 H 1 0.824 0.000 . 1 . . . . . 126 ILE HG22 . 51296 1 1138 . 1 . 1 105 105 ILE HG23 H 1 0.824 0.000 . 1 . . . . . 126 ILE HG23 . 51296 1 1139 . 1 . 1 105 105 ILE HD11 H 1 0.824 0.000 . 1 . . . . . 126 ILE HD11 . 51296 1 1140 . 1 . 1 105 105 ILE HD12 H 1 0.824 0.000 . 1 . . . . . 126 ILE HD12 . 51296 1 1141 . 1 . 1 105 105 ILE HD13 H 1 0.824 0.000 . 1 . . . . . 126 ILE HD13 . 51296 1 1142 . 1 . 1 105 105 ILE C C 13 173.387 0.059 . 1 . . . . . 126 ILE C . 51296 1 1143 . 1 . 1 105 105 ILE CA C 13 60.467 0.020 . 1 . . . . . 126 ILE CA . 51296 1 1144 . 1 . 1 105 105 ILE CB C 13 41.314 0.039 . 1 . . . . . 126 ILE CB . 51296 1 1145 . 1 . 1 105 105 ILE CG1 C 13 27.483 0.000 . 1 . . . . . 126 ILE CG1 . 51296 1 1146 . 1 . 1 105 105 ILE CG2 C 13 18.308 0.000 . 1 . . . . . 126 ILE CG2 . 51296 1 1147 . 1 . 1 105 105 ILE CD1 C 13 16.071 0.000 . 1 . . . . . 126 ILE CD1 . 51296 1 1148 . 1 . 1 105 105 ILE N N 15 122.085 0.041 . 1 . . . . . 126 ILE N . 51296 1 1149 . 1 . 1 106 106 GLY H H 1 8.431 0.005 . 1 . . . . . 127 GLY H . 51296 1 1150 . 1 . 1 106 106 GLY HA2 H 1 4.927 0.000 . 2 . . . . . 127 GLY HA2 . 51296 1 1151 . 1 . 1 106 106 GLY HA3 H 1 1.519 0.000 . 2 . . . . . 127 GLY HA3 . 51296 1 1152 . 1 . 1 106 106 GLY C C 13 173.188 0.000 . 1 . . . . . 127 GLY C . 51296 1 1153 . 1 . 1 106 106 GLY CA C 13 42.775 0.036 . 1 . . . . . 127 GLY CA . 51296 1 1154 . 1 . 1 106 106 GLY N N 15 112.078 0.036 . 1 . . . . . 127 GLY N . 51296 1 1155 . 1 . 1 107 107 ASN H H 1 9.224 0.005 . 1 . . . . . 128 ASN H . 51296 1 1156 . 1 . 1 107 107 ASN HA H 1 4.155 0.000 . 1 . . . . . 128 ASN HA . 51296 1 1157 . 1 . 1 107 107 ASN HB2 H 1 3.266 0.000 . 2 . . . . . 128 ASN HB2 . 51296 1 1158 . 1 . 1 107 107 ASN HB3 H 1 2.523 0.000 . 2 . . . . . 128 ASN HB3 . 51296 1 1159 . 1 . 1 107 107 ASN HD21 H 1 7.781 0.004 . 1 . . . . . 128 ASN HD21 . 51296 1 1160 . 1 . 1 107 107 ASN HD22 H 1 8.522 0.008 . 1 . . . . . 128 ASN HD22 . 51296 1 1161 . 1 . 1 107 107 ASN C C 13 175.411 0.000 . 1 . . . . . 128 ASN C . 51296 1 1162 . 1 . 1 107 107 ASN CA C 13 55.460 0.016 . 1 . . . . . 128 ASN CA . 51296 1 1163 . 1 . 1 107 107 ASN CB C 13 35.525 0.015 . 1 . . . . . 128 ASN CB . 51296 1 1164 . 1 . 1 107 107 ASN N N 15 118.928 0.036 . 1 . . . . . 128 ASN N . 51296 1 1165 . 1 . 1 107 107 ASN ND2 N 15 115.496 0.045 . 1 . . . . . 128 ASN ND2 . 51296 1 1166 . 1 . 1 108 108 TRP H H 1 7.228 0.005 . 1 . . . . . 129 TRP H . 51296 1 1167 . 1 . 1 108 108 TRP HA H 1 4.733 0.000 . 1 . . . . . 129 TRP HA . 51296 1 1168 . 1 . 1 108 108 TRP HB2 H 1 3.405 0.000 . 1 . . . . . 129 TRP HB2 . 51296 1 1169 . 1 . 1 108 108 TRP HB3 H 1 3.405 0.000 . 1 . . . . . 129 TRP HB3 . 51296 1 1170 . 1 . 1 108 108 TRP HD1 H 1 6.953 0.009 . 1 . . . . . 129 TRP HD1 . 51296 1 1171 . 1 . 1 108 108 TRP HE1 H 1 10.121 0.001 . 1 . . . . . 129 TRP HE1 . 51296 1 1172 . 1 . 1 108 108 TRP HZ2 H 1 7.034 0.007 . 1 . . . . . 129 TRP HZ2 . 51296 1 1173 . 1 . 1 108 108 TRP HZ3 H 1 6.812 0.000 . 1 . . . . . 129 TRP HZ3 . 51296 1 1174 . 1 . 1 108 108 TRP HH2 H 1 6.428 0.004 . 1 . . . . . 129 TRP HH2 . 51296 1 1175 . 1 . 1 108 108 TRP C C 13 175.814 0.013 . 1 . . . . . 129 TRP C . 51296 1 1176 . 1 . 1 108 108 TRP CA C 13 58.909 0.015 . 1 . . . . . 129 TRP CA . 51296 1 1177 . 1 . 1 108 108 TRP CB C 13 28.432 0.034 . 1 . . . . . 129 TRP CB . 51296 1 1178 . 1 . 1 108 108 TRP CD1 C 13 127.880 0.000 . 1 . . . . . 129 TRP CD1 . 51296 1 1179 . 1 . 1 108 108 TRP CZ2 C 13 114.626 0.000 . 1 . . . . . 129 TRP CZ2 . 51296 1 1180 . 1 . 1 108 108 TRP CZ3 C 13 120.792 0.000 . 1 . . . . . 129 TRP CZ3 . 51296 1 1181 . 1 . 1 108 108 TRP CH2 C 13 123.904 0.000 . 1 . . . . . 129 TRP CH2 . 51296 1 1182 . 1 . 1 108 108 TRP N N 15 116.554 0.053 . 1 . . . . . 129 TRP N . 51296 1 1183 . 1 . 1 108 108 TRP NE1 N 15 132.234 0.000 . 1 . . . . . 129 TRP NE1 . 51296 1 1184 . 1 . 1 109 109 ASN H H 1 7.283 0.006 . 1 . . . . . 130 ASN H . 51296 1 1185 . 1 . 1 109 109 ASN HA H 1 4.982 0.000 . 1 . . . . . 130 ASN HA . 51296 1 1186 . 1 . 1 109 109 ASN HB2 H 1 2.868 0.000 . 2 . . . . . 130 ASN HB2 . 51296 1 1187 . 1 . 1 109 109 ASN HB3 H 1 2.606 0.000 . 2 . . . . . 130 ASN HB3 . 51296 1 1188 . 1 . 1 109 109 ASN HD21 H 1 7.356 0.000 . 1 . . . . . 130 ASN HD21 . 51296 1 1189 . 1 . 1 109 109 ASN HD22 H 1 6.488 0.000 . 1 . . . . . 130 ASN HD22 . 51296 1 1190 . 1 . 1 109 109 ASN C C 13 175.796 0.022 . 1 . . . . . 130 ASN C . 51296 1 1191 . 1 . 1 109 109 ASN CA C 13 52.782 0.013 . 1 . . . . . 130 ASN CA . 51296 1 1192 . 1 . 1 109 109 ASN CB C 13 39.121 0.015 . 1 . . . . . 130 ASN CB . 51296 1 1193 . 1 . 1 109 109 ASN N N 15 118.567 0.020 . 1 . . . . . 130 ASN N . 51296 1 1194 . 1 . 1 109 109 ASN ND2 N 15 108.492 0.021 . 1 . . . . . 130 ASN ND2 . 51296 1 1195 . 1 . 1 110 110 VAL H H 1 7.436 0.005 . 1 . . . . . 131 VAL H . 51296 1 1196 . 1 . 1 110 110 VAL HA H 1 4.254 0.000 . 1 . . . . . 131 VAL HA . 51296 1 1197 . 1 . 1 110 110 VAL HB H 1 2.246 0.000 . 1 . . . . . 131 VAL HB . 51296 1 1198 . 1 . 1 110 110 VAL HG11 H 1 0.876 0.000 . 1 . . . . . 131 VAL HG11 . 51296 1 1199 . 1 . 1 110 110 VAL HG12 H 1 0.876 0.000 . 1 . . . . . 131 VAL HG12 . 51296 1 1200 . 1 . 1 110 110 VAL HG13 H 1 0.876 0.000 . 1 . . . . . 131 VAL HG13 . 51296 1 1201 . 1 . 1 110 110 VAL HG21 H 1 0.876 0.000 . 1 . . . . . 131 VAL HG21 . 51296 1 1202 . 1 . 1 110 110 VAL HG22 H 1 0.876 0.000 . 1 . . . . . 131 VAL HG22 . 51296 1 1203 . 1 . 1 110 110 VAL HG23 H 1 0.876 0.000 . 1 . . . . . 131 VAL HG23 . 51296 1 1204 . 1 . 1 110 110 VAL C C 13 176.472 0.005 . 1 . . . . . 131 VAL C . 51296 1 1205 . 1 . 1 110 110 VAL CA C 13 62.307 0.005 . 1 . . . . . 131 VAL CA . 51296 1 1206 . 1 . 1 110 110 VAL CB C 13 32.771 0.015 . 1 . . . . . 131 VAL CB . 51296 1 1207 . 1 . 1 110 110 VAL CG1 C 13 19.440 0.000 . 2 . . . . . 131 VAL CG1 . 51296 1 1208 . 1 . 1 110 110 VAL CG2 C 13 21.792 0.000 . 2 . . . . . 131 VAL CG2 . 51296 1 1209 . 1 . 1 110 110 VAL N N 15 114.578 0.035 . 1 . . . . . 131 VAL N . 51296 1 1210 . 1 . 1 111 111 GLY H H 1 8.303 0.005 . 1 . . . . . 132 GLY H . 51296 1 1211 . 1 . 1 111 111 GLY HA2 H 1 4.064 0.000 . 1 . . . . . 132 GLY HA2 . 51296 1 1212 . 1 . 1 111 111 GLY HA3 H 1 4.064 0.000 . 1 . . . . . 132 GLY HA3 . 51296 1 1213 . 1 . 1 111 111 GLY C C 13 174.828 0.012 . 1 . . . . . 132 GLY C . 51296 1 1214 . 1 . 1 111 111 GLY CA C 13 45.187 0.013 . 1 . . . . . 132 GLY CA . 51296 1 1215 . 1 . 1 111 111 GLY N N 15 110.059 0.034 . 1 . . . . . 132 GLY N . 51296 1 1216 . 1 . 1 112 112 THR H H 1 8.514 0.006 . 1 . . . . . 133 THR H . 51296 1 1217 . 1 . 1 112 112 THR HA H 1 4.301 0.000 . 1 . . . . . 133 THR HA . 51296 1 1218 . 1 . 1 112 112 THR HB H 1 4.301 0.000 . 1 . . . . . 133 THR HB . 51296 1 1219 . 1 . 1 112 112 THR HG21 H 1 1.246 0.000 . 1 . . . . . 133 THR HG21 . 51296 1 1220 . 1 . 1 112 112 THR HG22 H 1 1.246 0.000 . 1 . . . . . 133 THR HG22 . 51296 1 1221 . 1 . 1 112 112 THR HG23 H 1 1.246 0.000 . 1 . . . . . 133 THR HG23 . 51296 1 1222 . 1 . 1 112 112 THR C C 13 175.593 0.004 . 1 . . . . . 133 THR C . 51296 1 1223 . 1 . 1 112 112 THR CA C 13 62.757 0.005 . 1 . . . . . 133 THR CA . 51296 1 1224 . 1 . 1 112 112 THR CB C 13 69.600 0.002 . 1 . . . . . 133 THR CB . 51296 1 1225 . 1 . 1 112 112 THR CG2 C 13 21.900 0.000 . 1 . . . . . 133 THR CG2 . 51296 1 1226 . 1 . 1 112 112 THR N N 15 114.403 0.045 . 1 . . . . . 133 THR N . 51296 1 1227 . 1 . 1 113 113 SER H H 1 8.459 0.012 . 1 . . . . . 134 SER H . 51296 1 1228 . 1 . 1 113 113 SER HA H 1 4.449 0.000 . 1 . . . . . 134 SER HA . 51296 1 1229 . 1 . 1 113 113 SER HB2 H 1 3.915 0.000 . 1 . . . . . 134 SER HB2 . 51296 1 1230 . 1 . 1 113 113 SER HB3 H 1 3.915 0.000 . 1 . . . . . 134 SER HB3 . 51296 1 1231 . 1 . 1 113 113 SER C C 13 174.583 0.010 . 1 . . . . . 134 SER C . 51296 1 1232 . 1 . 1 113 113 SER CA C 13 58.836 0.007 . 1 . . . . . 134 SER CA . 51296 1 1233 . 1 . 1 113 113 SER CB C 13 63.699 0.031 . 1 . . . . . 134 SER CB . 51296 1 1234 . 1 . 1 113 113 SER N N 15 117.784 0.045 . 1 . . . . . 134 SER N . 51296 1 1235 . 1 . 1 114 114 ALA H H 1 8.073 0.008 . 1 . . . . . 135 ALA H . 51296 1 1236 . 1 . 1 114 114 ALA HA H 1 4.263 0.000 . 1 . . . . . 135 ALA HA . 51296 1 1237 . 1 . 1 114 114 ALA HB1 H 1 1.298 0.000 . 1 . . . . . 135 ALA HB1 . 51296 1 1238 . 1 . 1 114 114 ALA HB2 H 1 1.298 0.000 . 1 . . . . . 135 ALA HB2 . 51296 1 1239 . 1 . 1 114 114 ALA HB3 H 1 1.298 0.000 . 1 . . . . . 135 ALA HB3 . 51296 1 1240 . 1 . 1 114 114 ALA C C 13 177.670 0.007 . 1 . . . . . 135 ALA C . 51296 1 1241 . 1 . 1 114 114 ALA CA C 13 52.908 0.018 . 1 . . . . . 135 ALA CA . 51296 1 1242 . 1 . 1 114 114 ALA CB C 13 19.135 0.030 . 1 . . . . . 135 ALA CB . 51296 1 1243 . 1 . 1 114 114 ALA N N 15 124.779 0.027 . 1 . . . . . 135 ALA N . 51296 1 1244 . 1 . 1 115 115 HIS H H 1 8.277 0.003 . 1 . . . . . 136 HIS H . 51296 1 1245 . 1 . 1 115 115 HIS HA H 1 4.737 0.000 . 1 . . . . . 136 HIS HA . 51296 1 1246 . 1 . 1 115 115 HIS HB2 H 1 3.256 0.000 . 1 . . . . . 136 HIS HB2 . 51296 1 1247 . 1 . 1 115 115 HIS HB3 H 1 3.256 0.000 . 1 . . . . . 136 HIS HB3 . 51296 1 1248 . 1 . 1 115 115 HIS HD2 H 1 7.277 0.010 . 1 . . . . . 136 HIS HD2 . 51296 1 1249 . 1 . 1 115 115 HIS HE1 H 1 8.513 0.000 . 1 . . . . . 136 HIS HE1 . 51296 1 1250 . 1 . 1 115 115 HIS C C 13 174.787 0.004 . 1 . . . . . 136 HIS C . 51296 1 1251 . 1 . 1 115 115 HIS CA C 13 55.381 0.025 . 1 . . . . . 136 HIS CA . 51296 1 1252 . 1 . 1 115 115 HIS CB C 13 29.289 0.041 . 1 . . . . . 136 HIS CB . 51296 1 1253 . 1 . 1 115 115 HIS CD2 C 13 120.256 0.000 . 1 . . . . . 136 HIS CD2 . 51296 1 1254 . 1 . 1 115 115 HIS CE1 C 13 136.785 0.000 . 1 . . . . . 136 HIS CE1 . 51296 1 1255 . 1 . 1 115 115 HIS N N 15 116.778 0.030 . 1 . . . . . 136 HIS N . 51296 1 1256 . 1 . 1 116 116 SER H H 1 8.285 0.004 . 1 . . . . . 137 SER H . 51296 1 1257 . 1 . 1 116 116 SER HA H 1 4.474 0.000 . 1 . . . . . 137 SER HA . 51296 1 1258 . 1 . 1 116 116 SER HB2 H 1 3.900 0.000 . 1 . . . . . 137 SER HB2 . 51296 1 1259 . 1 . 1 116 116 SER HB3 H 1 3.900 0.000 . 1 . . . . . 137 SER HB3 . 51296 1 1260 . 1 . 1 116 116 SER C C 13 174.589 0.060 . 1 . . . . . 137 SER C . 51296 1 1261 . 1 . 1 116 116 SER CA C 13 58.451 0.054 . 1 . . . . . 137 SER CA . 51296 1 1262 . 1 . 1 116 116 SER CB C 13 63.892 0.035 . 1 . . . . . 137 SER CB . 51296 1 1263 . 1 . 1 116 116 SER N N 15 116.729 0.045 . 1 . . . . . 137 SER N . 51296 1 1264 . 1 . 1 117 117 ASN H H 1 8.538 0.004 . 1 . . . . . 138 ASN H . 51296 1 1265 . 1 . 1 117 117 ASN HA H 1 4.766 0.000 . 1 . . . . . 138 ASN HA . 51296 1 1266 . 1 . 1 117 117 ASN HB2 H 1 2.847 0.000 . 1 . . . . . 138 ASN HB2 . 51296 1 1267 . 1 . 1 117 117 ASN HB3 H 1 2.847 0.000 . 1 . . . . . 138 ASN HB3 . 51296 1 1268 . 1 . 1 117 117 ASN HD21 H 1 7.623 0.004 . 1 . . . . . 138 ASN HD21 . 51296 1 1269 . 1 . 1 117 117 ASN HD22 H 1 6.963 0.003 . 1 . . . . . 138 ASN HD22 . 51296 1 1270 . 1 . 1 117 117 ASN C C 13 175.744 0.015 . 1 . . . . . 138 ASN C . 51296 1 1271 . 1 . 1 117 117 ASN CA C 13 53.400 0.044 . 1 . . . . . 138 ASN CA . 51296 1 1272 . 1 . 1 117 117 ASN CB C 13 38.970 0.025 . 1 . . . . . 138 ASN CB . 51296 1 1273 . 1 . 1 117 117 ASN N N 15 120.512 0.030 . 1 . . . . . 138 ASN N . 51296 1 1274 . 1 . 1 117 117 ASN ND2 N 15 112.879 0.047 . 1 . . . . . 138 ASN ND2 . 51296 1 1275 . 1 . 1 118 118 GLY H H 1 8.347 0.005 . 1 . . . . . 139 GLY H . 51296 1 1276 . 1 . 1 118 118 GLY HA2 H 1 4.022 0.000 . 1 . . . . . 139 GLY HA2 . 51296 1 1277 . 1 . 1 118 118 GLY HA3 H 1 4.022 0.000 . 1 . . . . . 139 GLY HA3 . 51296 1 1278 . 1 . 1 118 118 GLY C C 13 174.138 0.005 . 1 . . . . . 139 GLY C . 51296 1 1279 . 1 . 1 118 118 GLY CA C 13 45.567 0.014 . 1 . . . . . 139 GLY CA . 51296 1 1280 . 1 . 1 118 118 GLY N N 15 109.040 0.051 . 1 . . . . . 139 GLY N . 51296 1 1281 . 1 . 1 119 119 SER H H 1 8.207 0.005 . 1 . . . . . 140 SER H . 51296 1 1282 . 1 . 1 119 119 SER HB2 H 1 3.879 0.000 . 1 . . . . . 140 SER HB2 . 51296 1 1283 . 1 . 1 119 119 SER HB3 H 1 3.879 0.000 . 1 . . . . . 140 SER HB3 . 51296 1 1284 . 1 . 1 119 119 SER C C 13 173.529 0.019 . 1 . . . . . 140 SER C . 51296 1 1285 . 1 . 1 119 119 SER CA C 13 58.311 0.018 . 1 . . . . . 140 SER CA . 51296 1 1286 . 1 . 1 119 119 SER CB C 13 64.130 0.064 . 1 . . . . . 140 SER CB . 51296 1 1287 . 1 . 1 119 119 SER N N 15 115.886 0.061 . 1 . . . . . 140 SER N . 51296 1 1288 . 1 . 1 120 120 ASN H H 1 8.137 0.005 . 1 . . . . . 141 ASN H . 51296 1 1289 . 1 . 1 120 120 ASN C C 13 179.404 0.000 . 1 . . . . . 141 ASN C . 51296 1 1290 . 1 . 1 120 120 ASN CA C 13 54.955 0.000 . 1 . . . . . 141 ASN CA . 51296 1 1291 . 1 . 1 120 120 ASN CB C 13 40.889 0.000 . 1 . . . . . 141 ASN CB . 51296 1 1292 . 1 . 1 120 120 ASN N N 15 125.709 0.041 . 1 . . . . . 141 ASN N . 51296 1 stop_ save_